2-methyl-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

C13H10N2OS — CID 730299

IUPAC2-methyl-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1
InChIInChI=1S/C13H10N2OS/c1-8-14-12(16)10-7-11(17-13(10)15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15,16)
InChIKeyMNZUXCCLJPAXEP-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.96
Rot. Bonds1

About 2-methyl-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

2-methyl-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 730299) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-methyl-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID730299
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name2-methyl-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1
InChIInChI=1S/C13H10N2OS/c1-8-14-12(16)10-7-11(17-13(10)15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15,16)
InChIKeyMNZUXCCLJPAXEP-UHFFFAOYSA-N
XLogP2.96
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 215639
5-Methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
CID 209395
5-(4-methylphenyl)-3H,4H-thieno(2,3-d)pyrimidin-4-one
CID 731455
2-(2-Thienyl)-4(3H)-quinazolinone
CID 135415499
6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 135468292
Thieno(2,3-d)pyrimidin-4(3H)-one, 3-amino-2-methyl-5-phenyl-
CID 206184
2-(Chloromethyl)-5,6,7,8-tetrahydro(1)benzothieno(2,3-d)pyrimidin-4(1H)-one
CID 146058
4H-Cyclopenta(4,5)thieno(2,3-d)pyrimidin-4-one, 3,5,6,7-tetrahydro-3-amino-2-(phenylmethyl)-
CID 915997
2-[({4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}methyl)sulfanyl]acetic acid
CID 2414076
Benzothienopyrimidinone deriv., 9
CID 135927906
Benzothienopyrimidinone deriv., 10a
CID 135927911
Benzothienopyrimidinone deriv., 12a
CID 135927940

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 730299) is 2-methyl-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1.
What is the InChIKey of 2-methyl-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is MNZUXCCLJPAXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c1-8-14-12(16)10-7-11(17-13(10)15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15,16).
What are the key properties of 2-methyl-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-methyl-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 242.30 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 730299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).