2,3-diamino-6-methyl-5-pyridin-4-ylsulfanylquinazolin-4-one

C14H13N5OS — CID 118151241

IUPAC2,3-diamino-6-methyl-5-pyridin-4-ylsulfanylquinazolin-4-one
SMILESCc1ccc2nc(N)n(N)c(=O)c2c1Sc1ccncc1
InChIInChI=1S/C14H13N5OS/c1-8-2-3-10-11(13(20)19(16)14(15)18-10)12(8)21-9-4-6-17-7-5-9/h2-7H,16H2,1H3,(H2,15,18)
InChIKeyMNGZSCFLICVJRN-UHFFFAOYSA-N
MW299.36 g/mol
LogP1.55
Rot. Bonds2

About 2,3-diamino-6-methyl-5-pyridin-4-ylsulfanylquinazolin-4-one

2,3-diamino-6-methyl-5-pyridin-4-ylsulfanylquinazolin-4-one (PubChem CID 118151241) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is 2,3-diamino-6-methyl-5-pyridin-4-ylsulfanylquinazolin-4-one.

Molecular Properties

Compound Name2,3-diamino-6-methyl-5-pyridin-4-ylsulfanylquinazolin-4-one
PubChem CID118151241
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC Name2,3-diamino-6-methyl-5-pyridin-4-ylsulfanylquinazolin-4-one
SMILESCc1ccc2nc(N)n(N)c(=O)c2c1Sc1ccncc1
InChIInChI=1S/C14H13N5OS/c1-8-2-3-10-11(13(20)19(16)14(15)18-10)12(8)21-9-4-6-17-7-5-9/h2-7H,16H2,1H3,(H2,15,18)
InChIKeyMNGZSCFLICVJRN-UHFFFAOYSA-N
XLogP1.55
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 135410337
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CID 3236834
CID 3236834
CID 135433918
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CID 135464152
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CID 135464205
CID 135464205
CID 135474272
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CID 135492393
CID 135492393

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-6-methyl-5-pyridin-4-ylsulfanylquinazolin-4-one?
The IUPAC name of 2,3-diamino-6-methyl-5-pyridin-4-ylsulfanylquinazolin-4-one (CID 118151241) is 2,3-diamino-6-methyl-5-pyridin-4-ylsulfanylquinazolin-4-one.
What is the SMILES notation for 2,3-diamino-6-methyl-5-pyridin-4-ylsulfanylquinazolin-4-one?
The canonical SMILES for 2,3-diamino-6-methyl-5-pyridin-4-ylsulfanylquinazolin-4-one is Cc1ccc2nc(N)n(N)c(=O)c2c1Sc1ccncc1.
What is the InChIKey of 2,3-diamino-6-methyl-5-pyridin-4-ylsulfanylquinazolin-4-one?
The InChIKey is MNGZSCFLICVJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-8-2-3-10-11(13(20)19(16)14(15)18-10)12(8)21-9-4-6-17-7-5-9/h2-7H,16H2,1H3,(H2,15,18).
What are the key properties of 2,3-diamino-6-methyl-5-pyridin-4-ylsulfanylquinazolin-4-one?
2,3-diamino-6-methyl-5-pyridin-4-ylsulfanylquinazolin-4-one has a molecular weight of 299.36 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-6-methyl-5-pyridin-4-ylsulfanylquinazolin-4-one is sourced from PubChem (CID 118151241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).