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

C21H25N7O2S — CID 73371704

IUPAC6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one
SMILESCOc1ccc2nc(NC3NC(=O)CC(CSc4nc(C)cc(C)n4)N3)nc(C)c2c1
InChIInChI=1S/C21H25N7O2S/c1-11-7-12(2)23-21(22-11)31-10-14-8-18(29)27-20(25-14)28-19-24-13(3)16-9-15(30-4)5-6-17(16)26-19/h5-7,9,14,20,25H,8,10H2,1-4H3,(H,27,29)(H,24,26,28)
InChIKeyBNQOQAUPBADPBE-UHFFFAOYSA-N
MW439.55 g/mol
LogP2.32
Rot. Bonds6

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

6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one (PubChem CID 73371704) has the molecular formula C21H25N7O2S and a molecular weight of 439.55 g/mol. Its IUPAC name is 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one.

Molecular Properties

Compound Name6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one
PubChem CID73371704
Molecular FormulaC21H25N7O2S
Molecular Weight439.55 g/mol
Exact Mass439.18
IUPAC Name6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one
SMILESCOc1ccc2nc(NC3NC(=O)CC(CSc4nc(C)cc(C)n4)N3)nc(C)c2c1
InChIInChI=1S/C21H25N7O2S/c1-11-7-12(2)23-21(22-11)31-10-14-8-18(29)27-20(25-14)28-19-24-13(3)16-9-15(30-4)5-6-17(16)26-19/h5-7,9,14,20,25H,8,10H2,1-4H3,(H,27,29)(H,24,26,28)
InChIKeyBNQOQAUPBADPBE-UHFFFAOYSA-N
XLogP2.32
TPSA113.95 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.55
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)-1,3-diazinan-4-one
CID 73263282
6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one
CID 78372277
2-[(4,7-dimethylquinazolin-2-yl)amino]-6-(pyrimidin-2-ylsulfanylmethyl)-1,3-diazinan-4-one
CID 73259493
6-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one
CID 122362586
N-(4,6-dimethylpyrimidin-2-yl)-7-methoxy-4-methylquinazolin-2-amine
CID 658255
6-methoxy-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135448199
2-[(8-methyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)amino]-6-phenyl-1,3-diazinan-4-one
CID 122362589
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135435517
5-[(4-chlorophenyl)methyl]-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one
CID 73298570
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-8-methyl-3H-quinazolin-4-one
CID 135440093
2-[(6-methoxy-4-methylquinazolin-2-yl)sulfanylmethyl]-3H-quinazolin-4-one
CID 135747470
(4R)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 1146691

Frequently Asked Questions

What is the IUPAC name of 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one?
The IUPAC name of 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one (CID 73371704) is 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one.
What is the SMILES notation for 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one?
The canonical SMILES for 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one is COc1ccc2nc(NC3NC(=O)CC(CSc4nc(C)cc(C)n4)N3)nc(C)c2c1.
What is the InChIKey of 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one?
The InChIKey is BNQOQAUPBADPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2S/c1-11-7-12(2)23-21(22-11)31-10-14-8-18(29)27-20(25-14)28-19-24-13(3)16-9-15(30-4)5-6-17(16)26-19/h5-7,9,14,20,25H,8,10H2,1-4H3,(H,27,29)(H,24,26,28).
What are the key properties of 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one?
6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one has a molecular weight of 439.55 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one is sourced from PubChem (CID 73371704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).