6-(Benzylamino)-3-methyl-1H-pyrimidine-2,4-dione supplier

Name
6-(BENZYLAMINO)-3-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE
EINECS
CAS No. 5759-79-5
Article Data3
CAS DataBase
Density 1.29 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₃N₃O₂
Boiling Point
Molecular Weight 231.254
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,4(1H,3H)-Pyrimidinedione, 3-methyl-6-[(phenylmethyl)amino]-;
PSA 66.89000
LogP 0.75870

6-(Benzylamino)-3-methyl-1H-pyrimidine-2,4-dione Specification

The CAS registry number of 6-(Benzylamino)-3-methyl-1H-pyrimidine-2,4-dione is 5759-79-5. This chemical is also known as 2,4(1H,3H)-Pyrimidinedione, 3-methyl-6-[(phenylmethyl)amino]-. The molecular formula of it is C₁₂H₁₃N₃O₂ and molecular weight is 231.2505. Its systematic name is called 6-(benzylamino)-3-methylpyrimidine-2,4(1H,3H)-dione.

Physical properties about this chemical are: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.42; (4)ACD/LogD (pH 7.4): 1.34; (5)ACD/BCF (pH 5.5): 7.04; (6)ACD/BCF (pH 7.4): 5.84; (7)ACD/KOC (pH 5.5): 140.01; (8)ACD/KOC (pH 7.4): 116.23; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.627; (13)Molar Refractivity: 63.58 cm³; (14)Molar Volume: 179.2 cm³; (15)Surface Tension: 56.6 dyne/cm; (16)Density: 1.29 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2NC(/NCc1ccccc1)=C\C(=O)N2C
(2)InChI: InChI=1/C12H13N3O2/c1-15-11(16)7-10(14-12(15)17)13-8-9-5-3-2-4-6-9/h2-7,13H,8H2,1H3,(H,14,17)
(3)InChIKey: SSUJDSOIUQWHRZ-UHFFFAOYAW

Product Name

6-(BENZYLAMINO)-3-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE

6-(Benzylamino)-3-methyl-1H-pyrimidine-2,4-dione Specification

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