6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one

C19H21N7OS — CID 78372277

IUPAC6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one
SMILESCc1ccnc(SCC2CC(=O)NC(Nc3nc(C)c4ccccc4n3)N2)n1
InChIInChI=1S/C19H21N7OS/c1-11-7-8-20-19(21-11)28-10-13-9-16(27)25-18(23-13)26-17-22-12(2)14-5-3-4-6-15(14)24-17/h3-8,13,18,23H,9-10H2,1-2H3,(H,25,27)(H,22,24,26)
InChIKeyPQZNDSSNZSZNAM-UHFFFAOYSA-N
MW395.49 g/mol
LogP2.00
Rot. Bonds5

About 6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one

6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one (PubChem CID 78372277) has the molecular formula C19H21N7OS and a molecular weight of 395.49 g/mol. Its IUPAC name is 6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one.

Molecular Properties

Compound Name6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one
PubChem CID78372277
Molecular FormulaC19H21N7OS
Molecular Weight395.49 g/mol
Exact Mass395.15
IUPAC Name6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one
SMILESCc1ccnc(SCC2CC(=O)NC(Nc3nc(C)c4ccccc4n3)N2)n1
InChIInChI=1S/C19H21N7OS/c1-11-7-8-20-19(21-11)28-10-13-9-16(27)25-18(23-13)26-17-22-12(2)14-5-3-4-6-15(14)24-17/h3-8,13,18,23H,9-10H2,1-2H3,(H,25,27)(H,22,24,26)
InChIKeyPQZNDSSNZSZNAM-UHFFFAOYSA-N
XLogP2.00
TPSA104.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one with MolForge

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Related Compounds

2-[(4,7-dimethylquinazolin-2-yl)amino]-6-(pyrimidin-2-ylsulfanylmethyl)-1,3-diazinan-4-one
CID 73259493
6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one
CID 73371704
6-[(4-chlorophenyl)sulfanylmethyl]-2-[(4,8-dimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one
CID 78214804
6-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one
CID 122362586
2-[(8-methyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)amino]-6-phenyl-1,3-diazinan-4-one
CID 122362589
N-cyclohexyl-4-methylquinazolin-2-amine
CID 118714792
5-decyl-6-methyl-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one
CID 73357984
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)-1,3-diazinan-4-one
CID 73263282
2-[(4,7-dimethylquinazolin-2-yl)amino]-4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrimidin-6-one
CID 135996082
2-[(4-methylquinazolin-2-yl)amino]-4-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
CID 135653218
4-methyl-2-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine
CID 62371819
2-(4-methylpiperazin-1-yl)-6-(pyrimidin-2-ylsulfanylmethyl)-1,3-diazinan-4-one
CID 73257665

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one?
The IUPAC name of 6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one (CID 78372277) is 6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one.
What is the SMILES notation for 6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one?
The canonical SMILES for 6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one is Cc1ccnc(SCC2CC(=O)NC(Nc3nc(C)c4ccccc4n3)N2)n1.
What is the InChIKey of 6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one?
The InChIKey is PQZNDSSNZSZNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7OS/c1-11-7-8-20-19(21-11)28-10-13-9-16(27)25-18(23-13)26-17-22-12(2)14-5-3-4-6-15(14)24-17/h3-8,13,18,23H,9-10H2,1-2H3,(H,25,27)(H,22,24,26).
What are the key properties of 6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one?
6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one has a molecular weight of 395.49 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one is sourced from PubChem (CID 78372277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).