(3-chlorothiophen-2-yl)-(5-methylpyrimidin-2-yl)methanone

C10H7ClN2OS — CID 107359425

IUPAC(3-chlorothiophen-2-yl)-(5-methylpyrimidin-2-yl)methanone
SMILESCc1cnc(C(=O)c2sccc2Cl)nc1
InChIInChI=1S/C10H7ClN2OS/c1-6-4-12-10(13-5-6)8(14)9-7(11)2-3-15-9/h2-5H,1H3
InChIKeyKHTBUFLLLPWQIA-UHFFFAOYSA-N
MW238.70 g/mol
LogP2.73
Rot. Bonds2

About (3-chlorothiophen-2-yl)-(5-methylpyrimidin-2-yl)methanone

(3-chlorothiophen-2-yl)-(5-methylpyrimidin-2-yl)methanone (PubChem CID 107359425) has the molecular formula C10H7ClN2OS and a molecular weight of 238.70 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(5-methylpyrimidin-2-yl)methanone.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(5-methylpyrimidin-2-yl)methanone
PubChem CID107359425
Molecular FormulaC10H7ClN2OS
Molecular Weight238.70 g/mol
Exact Mass238.00
IUPAC Name(3-chlorothiophen-2-yl)-(5-methylpyrimidin-2-yl)methanone
SMILESCc1cnc(C(=O)c2sccc2Cl)nc1
InChIInChI=1S/C10H7ClN2OS/c1-6-4-12-10(13-5-6)8(14)9-7(11)2-3-15-9/h2-5H,1H3
InChIKeyKHTBUFLLLPWQIA-UHFFFAOYSA-N
XLogP2.73
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.70
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chlorothiophen-2-yl)-pyrimidin-2-ylmethanone
CID 107359322
(3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone
CID 114976007
(3-chloro-2-pyridinyl)-(3-chlorothiophen-2-yl)methanone
CID 107359480
(4-chloro-2,5-dimethylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80645435
(3-chlorothiophen-2-yl)-pyridazin-4-ylmethanone
CID 107361601
(3-chlorothiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone
CID 115793411
(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103434981
(3-chlorothiophen-2-yl)-thiophen-2-ylmethanone
CID 80529755
(3-chlorothiophen-2-yl)-(2-methoxy-3-pyridinyl)methanone
CID 107361591
3-chloro-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 80641240
(5-bromo-4-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanone
CID 80530149
(3-chlorothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone
CID 115802142

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(5-methylpyrimidin-2-yl)methanone?
The IUPAC name of (3-chlorothiophen-2-yl)-(5-methylpyrimidin-2-yl)methanone (CID 107359425) is (3-chlorothiophen-2-yl)-(5-methylpyrimidin-2-yl)methanone.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(5-methylpyrimidin-2-yl)methanone?
The canonical SMILES for (3-chlorothiophen-2-yl)-(5-methylpyrimidin-2-yl)methanone is Cc1cnc(C(=O)c2sccc2Cl)nc1.
What is the InChIKey of (3-chlorothiophen-2-yl)-(5-methylpyrimidin-2-yl)methanone?
The InChIKey is KHTBUFLLLPWQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2OS/c1-6-4-12-10(13-5-6)8(14)9-7(11)2-3-15-9/h2-5H,1H3.
What are the key properties of (3-chlorothiophen-2-yl)-(5-methylpyrimidin-2-yl)methanone?
(3-chlorothiophen-2-yl)-(5-methylpyrimidin-2-yl)methanone has a molecular weight of 238.70 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(5-methylpyrimidin-2-yl)methanone is sourced from PubChem (CID 107359425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).