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

C20H16N2OS — CID 82096845

IUPAC2-benzhydryl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)[nH]c(C(c3ccccc3)c3ccccc3)nc2s1
InChIInChI=1S/C20H16N2OS/c1-13-12-16-19(23)21-18(22-20(16)24-13)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12,17H,1H3,(H,21,22,23)
InChIKeyDOMIUGBPICXZRK-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.47
Rot. Bonds3

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

2-benzhydryl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 82096845) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-benzhydryl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-benzhydryl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID82096845
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC Name2-benzhydryl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)[nH]c(C(c3ccccc3)c3ccccc3)nc2s1
InChIInChI=1S/C20H16N2OS/c1-13-12-16-19(23)21-18(22-20(16)24-13)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12,17H,1H3,(H,21,22,23)
InChIKeyDOMIUGBPICXZRK-UHFFFAOYSA-N
XLogP4.47
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxyethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 166120129
2-(1-chloroethyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82065003
2-amino-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82055604
ethyl 2-benzhydryl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 28868679
6-methyl-2-[(E)-3-phenylprop-2-enoyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 162354862
6-methyl-2-[(E)-3-oxo-3-phenylprop-1-enyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 162354847
2-benzhydryl-5-(4-ethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868698
2-[(1R)-1-chloroethyl]-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 93213420
2-(ethylamino)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 103331621
2-(2-cyclopropylethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 75523584
2,6-dimethyl-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 45153512
2-(3-aminopropylsulfanyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82146504

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-benzhydryl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 82096845) is 2-benzhydryl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-benzhydryl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-benzhydryl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1cc2c(=O)[nH]c(C(c3ccccc3)c3ccccc3)nc2s1.
What is the InChIKey of 2-benzhydryl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is DOMIUGBPICXZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c1-13-12-16-19(23)21-18(22-20(16)24-13)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12,17H,1H3,(H,21,22,23).
What are the key properties of 2-benzhydryl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-benzhydryl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 332.43 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 82096845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).