2-[(4,8-dimethylquinazolin-2-yl)amino]-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-6-one

C17H17N9OS — CID 135996039

IUPAC2-[(4,8-dimethylquinazolin-2-yl)amino]-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-6-one
SMILESCc1nc(Nc2nc(CSc3nnnn3C)cc(=O)[nH]2)nc2c(C)cccc12
InChIInChI=1S/C17H17N9OS/c1-9-5-4-6-12-10(2)18-15(21-14(9)12)22-16-19-11(7-13(27)20-16)8-28-17-23-24-25-26(17)3/h4-7H,8H2,1-3H3,(H2,18,19,20,21,22,27)
InChIKeyUJKNCSKXCJHATH-UHFFFAOYSA-N
MW395.45 g/mol
LogP1.89
Rot. Bonds5

About 2-[(4,8-dimethylquinazolin-2-yl)amino]-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-6-one

2-[(4,8-dimethylquinazolin-2-yl)amino]-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-6-one (PubChem CID 135996039) has the molecular formula C17H17N9OS and a molecular weight of 395.45 g/mol. Its IUPAC name is 2-[(4,8-dimethylquinazolin-2-yl)amino]-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(4,8-dimethylquinazolin-2-yl)amino]-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-6-one
PubChem CID135996039
Molecular FormulaC17H17N9OS
Molecular Weight395.45 g/mol
Exact Mass395.13
IUPAC Name2-[(4,8-dimethylquinazolin-2-yl)amino]-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-6-one
SMILESCc1nc(Nc2nc(CSc3nnnn3C)cc(=O)[nH]2)nc2c(C)cccc12
InChIInChI=1S/C17H17N9OS/c1-9-5-4-6-12-10(2)18-15(21-14(9)12)22-16-19-11(7-13(27)20-16)8-28-17-23-24-25-26(17)3/h4-7H,8H2,1-3H3,(H2,18,19,20,21,22,27)
InChIKeyUJKNCSKXCJHATH-UHFFFAOYSA-N
XLogP1.89
TPSA127.16 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[(4,8-dimethylquinazolin-2-yl)amino]-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

4-(2-chlorophenyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135645110
2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrimidin-6-one
CID 135996088
2-[(4-methylquinazolin-2-yl)amino]-4-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
CID 135653218
2-(4-methylanilino)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-6-one
CID 135420404
2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one
CID 135645257
2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one
CID 135467306
4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135894885
2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one
CID 135762523
2-[(4,7-dimethylquinazolin-2-yl)amino]-4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrimidin-6-one
CID 135996082
4-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135762341
N-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine
CID 79239132
2-chloro-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridine
CID 79037574

Frequently Asked Questions

What is the IUPAC name of 2-[(4,8-dimethylquinazolin-2-yl)amino]-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[(4,8-dimethylquinazolin-2-yl)amino]-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-6-one (CID 135996039) is 2-[(4,8-dimethylquinazolin-2-yl)amino]-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(4,8-dimethylquinazolin-2-yl)amino]-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(4,8-dimethylquinazolin-2-yl)amino]-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-6-one is Cc1nc(Nc2nc(CSc3nnnn3C)cc(=O)[nH]2)nc2c(C)cccc12.
What is the InChIKey of 2-[(4,8-dimethylquinazolin-2-yl)amino]-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-6-one?
The InChIKey is UJKNCSKXCJHATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N9OS/c1-9-5-4-6-12-10(2)18-15(21-14(9)12)22-16-19-11(7-13(27)20-16)8-28-17-23-24-25-26(17)3/h4-7H,8H2,1-3H3,(H2,18,19,20,21,22,27).
What are the key properties of 2-[(4,8-dimethylquinazolin-2-yl)amino]-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-6-one?
2-[(4,8-dimethylquinazolin-2-yl)amino]-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-6-one has a molecular weight of 395.45 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,8-dimethylquinazolin-2-yl)amino]-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135996039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).