2-amino-5-[[2-(dimethylamino)-4-pyridinyl]sulfanyl]-6-methyl-3H-quinazolin-4-one

C16H17N5OS — CID 135464152

IUPAC2-amino-5-[[2-(dimethylamino)-4-pyridinyl]sulfanyl]-6-methyl-3H-quinazolin-4-one
SMILESCc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccnc(N(C)C)c1
InChIInChI=1S/C16H17N5OS/c1-9-4-5-11-13(15(22)20-16(17)19-11)14(9)23-10-6-7-18-12(8-10)21(2)3/h4-8H,1-3H3,(H3,17,19,20,22)
InChIKeyAEUDTQVWCOHZBQ-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.43
Rot. Bonds3

About 2-amino-5-[[2-(dimethylamino)-4-pyridinyl]sulfanyl]-6-methyl-3H-quinazolin-4-one

2-amino-5-[[2-(dimethylamino)-4-pyridinyl]sulfanyl]-6-methyl-3H-quinazolin-4-one (PubChem CID 135464152) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-amino-5-[[2-(dimethylamino)-4-pyridinyl]sulfanyl]-6-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-amino-5-[[2-(dimethylamino)-4-pyridinyl]sulfanyl]-6-methyl-3H-quinazolin-4-one
PubChem CID135464152
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name2-amino-5-[[2-(dimethylamino)-4-pyridinyl]sulfanyl]-6-methyl-3H-quinazolin-4-one
SMILESCc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccnc(N(C)C)c1
InChIInChI=1S/C16H17N5OS/c1-9-4-5-11-13(15(22)20-16(17)19-11)14(9)23-10-6-7-18-12(8-10)21(2)3/h4-8H,1-3H3,(H3,17,19,20,22)
InChIKeyAEUDTQVWCOHZBQ-UHFFFAOYSA-N
XLogP2.43
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 135410337
CID 135410337
CID 135492362
CID 135492362
CID 1441127
CID 1441127
CID 7424397
CID 7424397
CID 16029969
CID 16029969
CID 135433918
CID 135433918
CID 135464205
CID 135464205
CID 135474272
CID 135474272

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[[2-(dimethylamino)-4-pyridinyl]sulfanyl]-6-methyl-3H-quinazolin-4-one?
The IUPAC name of 2-amino-5-[[2-(dimethylamino)-4-pyridinyl]sulfanyl]-6-methyl-3H-quinazolin-4-one (CID 135464152) is 2-amino-5-[[2-(dimethylamino)-4-pyridinyl]sulfanyl]-6-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-amino-5-[[2-(dimethylamino)-4-pyridinyl]sulfanyl]-6-methyl-3H-quinazolin-4-one?
The canonical SMILES for 2-amino-5-[[2-(dimethylamino)-4-pyridinyl]sulfanyl]-6-methyl-3H-quinazolin-4-one is Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccnc(N(C)C)c1.
What is the InChIKey of 2-amino-5-[[2-(dimethylamino)-4-pyridinyl]sulfanyl]-6-methyl-3H-quinazolin-4-one?
The InChIKey is AEUDTQVWCOHZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-9-4-5-11-13(15(22)20-16(17)19-11)14(9)23-10-6-7-18-12(8-10)21(2)3/h4-8H,1-3H3,(H3,17,19,20,22).
What are the key properties of 2-amino-5-[[2-(dimethylamino)-4-pyridinyl]sulfanyl]-6-methyl-3H-quinazolin-4-one?
2-amino-5-[[2-(dimethylamino)-4-pyridinyl]sulfanyl]-6-methyl-3H-quinazolin-4-one has a molecular weight of 327.41 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[[2-(dimethylamino)-4-pyridinyl]sulfanyl]-6-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 135464152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).