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

C14H12N2OS — CID 962676

IUPAC2-benzyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)[nH]c(Cc3ccccc3)nc2s1
InChIInChI=1S/C14H12N2OS/c1-9-7-11-13(17)15-12(16-14(11)18-9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16,17)
InChIKeyCXURYVPJKSXYMM-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.88
Rot. Bonds2

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

2-benzyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 962676) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-benzyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-benzyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID962676
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name2-benzyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)[nH]c(Cc3ccccc3)nc2s1
InChIInChI=1S/C14H12N2OS/c1-9-7-11-13(17)15-12(16-14(11)18-9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16,17)
InChIKeyCXURYVPJKSXYMM-UHFFFAOYSA-N
XLogP2.88
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
CID 209395
2-(2-Thienyl)-4(3H)-quinazolinone
CID 135415499
Thieno(2,3-d)pyrimidin-4(3H)-one, 3-amino-2-methyl-5-phenyl-
CID 206184
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
4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,5,6,7,8,9-hexahydro-2-phenyl-
CID 833735
5,6,7,8-Tetrahydro-2-phenyl(1)benzothieno(2,3-d)pyrimidin-4(1H)-one
CID 209396
2,5,6-trimethyl-3H,4H-thieno(2,3-d)pyrimidin-4-one
CID 857577
5-Methyl-6-phenylthieno[2,3-d]pyrimidin-4(1H)-one
CID 673139
2-(chloromethyl)-6-methyl-5-phenyl-3H,4H-thieno(2,3-d)pyrimidin-4-one
CID 2393069
2-methyl-5-(thiophen-2-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 3301641
2-amino-6-ethyl-5-(4-fluorophenyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 44221146

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-benzyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 962676) is 2-benzyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-benzyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-benzyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1cc2c(=O)[nH]c(Cc3ccccc3)nc2s1.
What is the InChIKey of 2-benzyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is CXURYVPJKSXYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-9-7-11-13(17)15-12(16-14(11)18-9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16,17).
What are the key properties of 2-benzyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-benzyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 256.33 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 962676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).