1-amino-6-methyl-5-pyridin-4-ylsulfanylquinazolin-4-one

C14H12N4OS — CID 141121909

IUPAC1-amino-6-methyl-5-pyridin-4-ylsulfanylquinazolin-4-one
SMILESCc1ccc2c(c1Sc1ccncc1)c(=O)ncn2N
InChIInChI=1S/C14H12N4OS/c1-9-2-3-11-12(14(19)17-8-18(11)15)13(9)20-10-4-6-16-7-5-10/h2-8H,15H2,1H3
InChIKeyHNGNUFQPLCTAMI-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.96
Rot. Bonds2

About 1-amino-6-methyl-5-pyridin-4-ylsulfanylquinazolin-4-one

1-amino-6-methyl-5-pyridin-4-ylsulfanylquinazolin-4-one (PubChem CID 141121909) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-amino-6-methyl-5-pyridin-4-ylsulfanylquinazolin-4-one.

Molecular Properties

Compound Name1-amino-6-methyl-5-pyridin-4-ylsulfanylquinazolin-4-one
PubChem CID141121909
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name1-amino-6-methyl-5-pyridin-4-ylsulfanylquinazolin-4-one
SMILESCc1ccc2c(c1Sc1ccncc1)c(=O)ncn2N
InChIInChI=1S/C14H12N4OS/c1-9-2-3-11-12(14(19)17-8-18(11)15)13(9)20-10-4-6-16-7-5-10/h2-8H,15H2,1H3
InChIKeyHNGNUFQPLCTAMI-UHFFFAOYSA-N
XLogP1.96
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-amino-6-methyl-5-pyridin-4-ylsulfanylquinazolin-4-one?
The IUPAC name of 1-amino-6-methyl-5-pyridin-4-ylsulfanylquinazolin-4-one (CID 141121909) is 1-amino-6-methyl-5-pyridin-4-ylsulfanylquinazolin-4-one.
What is the SMILES notation for 1-amino-6-methyl-5-pyridin-4-ylsulfanylquinazolin-4-one?
The canonical SMILES for 1-amino-6-methyl-5-pyridin-4-ylsulfanylquinazolin-4-one is Cc1ccc2c(c1Sc1ccncc1)c(=O)ncn2N.
What is the InChIKey of 1-amino-6-methyl-5-pyridin-4-ylsulfanylquinazolin-4-one?
The InChIKey is HNGNUFQPLCTAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-9-2-3-11-12(14(19)17-8-18(11)15)13(9)20-10-4-6-16-7-5-10/h2-8H,15H2,1H3.
What are the key properties of 1-amino-6-methyl-5-pyridin-4-ylsulfanylquinazolin-4-one?
1-amino-6-methyl-5-pyridin-4-ylsulfanylquinazolin-4-one has a molecular weight of 284.34 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-methyl-5-pyridin-4-ylsulfanylquinazolin-4-one is sourced from PubChem (CID 141121909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).