2-amino-6-methyl-5-pyridazin-4-ylsulfanyl-3H-quinazolin-4-one

C13H11N5OS — CID 135492393

IUPAC2-amino-6-methyl-5-pyridazin-4-ylsulfanyl-3H-quinazolin-4-one
SMILESCc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccnnc1
InChIInChI=1S/C13H11N5OS/c1-7-2-3-9-10(12(19)18-13(14)17-9)11(7)20-8-4-5-15-16-6-8/h2-6H,1H3,(H3,14,17,18,19)
InChIKeyOJMGRQBFCCRQMF-UHFFFAOYSA-N
MW285.33 g/mol
LogP1.75
Rot. Bonds2

About 2-amino-6-methyl-5-pyridazin-4-ylsulfanyl-3H-quinazolin-4-one

2-amino-6-methyl-5-pyridazin-4-ylsulfanyl-3H-quinazolin-4-one (PubChem CID 135492393) has the molecular formula C13H11N5OS and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-amino-6-methyl-5-pyridazin-4-ylsulfanyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-amino-6-methyl-5-pyridazin-4-ylsulfanyl-3H-quinazolin-4-one
PubChem CID135492393
Molecular FormulaC13H11N5OS
Molecular Weight285.33 g/mol
Exact Mass285.07
IUPAC Name2-amino-6-methyl-5-pyridazin-4-ylsulfanyl-3H-quinazolin-4-one
SMILESCc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccnnc1
InChIInChI=1S/C13H11N5OS/c1-7-2-3-9-10(12(19)18-13(14)17-9)11(7)20-8-4-5-15-16-6-8/h2-6H,1H3,(H3,14,17,18,19)
InChIKeyOJMGRQBFCCRQMF-UHFFFAOYSA-N
XLogP1.75
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Nolatrexed
CID 135400184
Nolatrexed Dihydrochloride
CID 135409535
2,6-Dimethyl-5-(pyridazin-4-ylsulfanyl)-3H-quinazolin-4-one
CID 135449121
2-Amino-6-methyl-5-(pyridin-4-ylthio)quinazolin-4(1H)-one hydrochloride
CID 135475884
2,3-Diamino-6-methyl-5-pyridin-4-ylsulfanylquinazolin-4-one
CID 118151241
2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one;hydron;dichloride
CID 135878881
1-Amino-6-methyl-5-pyridin-4-ylsulfanylquinazolin-4-one
CID 141121909
2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one;methane;dihydrochloride
CID 157309623
2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one chloride
CID 135909415
Nolatrexed-d4 Dihydrochloride
CID 136234046
Nolatrexed-d4 (dihydrochloride)
CID 162640477

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-5-pyridazin-4-ylsulfanyl-3H-quinazolin-4-one?
The IUPAC name of 2-amino-6-methyl-5-pyridazin-4-ylsulfanyl-3H-quinazolin-4-one (CID 135492393) is 2-amino-6-methyl-5-pyridazin-4-ylsulfanyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-amino-6-methyl-5-pyridazin-4-ylsulfanyl-3H-quinazolin-4-one?
The canonical SMILES for 2-amino-6-methyl-5-pyridazin-4-ylsulfanyl-3H-quinazolin-4-one is Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccnnc1.
What is the InChIKey of 2-amino-6-methyl-5-pyridazin-4-ylsulfanyl-3H-quinazolin-4-one?
The InChIKey is OJMGRQBFCCRQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5OS/c1-7-2-3-9-10(12(19)18-13(14)17-9)11(7)20-8-4-5-15-16-6-8/h2-6H,1H3,(H3,14,17,18,19).
What are the key properties of 2-amino-6-methyl-5-pyridazin-4-ylsulfanyl-3H-quinazolin-4-one?
2-amino-6-methyl-5-pyridazin-4-ylsulfanyl-3H-quinazolin-4-one has a molecular weight of 285.33 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-5-pyridazin-4-ylsulfanyl-3H-quinazolin-4-one is sourced from PubChem (CID 135492393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).