3-amino-2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one

C14H13N3OS — CID 692012

IUPAC3-amino-2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2csc3nc(C)n(N)c(=O)c23)cc1
InChIInChI=1S/C14H13N3OS/c1-8-3-5-10(6-4-8)11-7-19-13-12(11)14(18)17(15)9(2)16-13/h3-7H,15H2,1-2H3
InChIKeyIDKVVFFQVJOGDZ-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.46
Rot. Bonds1

About 3-amino-2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one

3-amino-2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 692012) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 3-amino-2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID692012
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name3-amino-2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2csc3nc(C)n(N)c(=O)c23)cc1
InChIInChI=1S/C14H13N3OS/c1-8-3-5-10(6-4-8)11-7-19-13-12(11)14(18)17(15)9(2)16-13/h3-7H,15H2,1-2H3
InChIKeyIDKVVFFQVJOGDZ-UHFFFAOYSA-N
XLogP2.46
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-amino-2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one (CID 692012) is 3-amino-2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-amino-2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-amino-2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one is Cc1ccc(-c2csc3nc(C)n(N)c(=O)c23)cc1.
What is the InChIKey of 3-amino-2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is IDKVVFFQVJOGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-8-3-5-10(6-4-8)11-7-19-13-12(11)14(18)17(15)9(2)16-13/h3-7H,15H2,1-2H3.
What are the key properties of 3-amino-2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one?
3-amino-2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 271.35 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 692012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).