2-chloro-6-methyl-3-phenylthieno[2,3-d]pyrimidin-4-one

C13H9ClN2OS — CID 134105611

IUPAC2-chloro-6-methyl-3-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)n(-c3ccccc3)c(Cl)nc2s1
InChIInChI=1S/C13H9ClN2OS/c1-8-7-10-11(18-8)15-13(14)16(12(10)17)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyJUWFJBSZSHHHCD-UHFFFAOYSA-N
MW276.75 g/mol
LogP3.41
Rot. Bonds1

About 2-chloro-6-methyl-3-phenylthieno[2,3-d]pyrimidin-4-one

2-chloro-6-methyl-3-phenylthieno[2,3-d]pyrimidin-4-one (PubChem CID 134105611) has the molecular formula C13H9ClN2OS and a molecular weight of 276.75 g/mol. Its IUPAC name is 2-chloro-6-methyl-3-phenylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-chloro-6-methyl-3-phenylthieno[2,3-d]pyrimidin-4-one
PubChem CID134105611
Molecular FormulaC13H9ClN2OS
Molecular Weight276.75 g/mol
Exact Mass276.01
IUPAC Name2-chloro-6-methyl-3-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)n(-c3ccccc3)c(Cl)nc2s1
InChIInChI=1S/C13H9ClN2OS/c1-8-7-10-11(18-8)15-13(14)16(12(10)17)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyJUWFJBSZSHHHCD-UHFFFAOYSA-N
XLogP3.41
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-6-methyl-3-phenylpyrimidin-4-one
CID 154123785
1-benzyl-6-chloro-5-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 11244612
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35475828
2,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 4060720
7,17-diphenyl-7,17-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,9,11,13,15(19)-heptaene-6,8,16,18-tetrone
CID 10073329
N-(3,5-dichlorophenyl)-2-(6-ethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35476630
2-benzhydryl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82096845
2-chloro-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one
CID 67982185
2,6-dimethyl-3-propylthieno[2,3-d]pyrimidin-4-one
CID 12820924
6-ethyl-2-phenacylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 1049646
2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one
CID 18196963
N-benzyl-4-chloro-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 82309363

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-3-phenylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-chloro-6-methyl-3-phenylthieno[2,3-d]pyrimidin-4-one (CID 134105611) is 2-chloro-6-methyl-3-phenylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-chloro-6-methyl-3-phenylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-chloro-6-methyl-3-phenylthieno[2,3-d]pyrimidin-4-one is Cc1cc2c(=O)n(-c3ccccc3)c(Cl)nc2s1.
What is the InChIKey of 2-chloro-6-methyl-3-phenylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is JUWFJBSZSHHHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS/c1-8-7-10-11(18-8)15-13(14)16(12(10)17)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 2-chloro-6-methyl-3-phenylthieno[2,3-d]pyrimidin-4-one?
2-chloro-6-methyl-3-phenylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 276.75 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-3-phenylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 134105611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).