4-chloro-6-cyclopentyl-2-(3-methylthiophen-2-yl)pyrimidine

C14H15ClN2S — CID 113390310

IUPAC4-chloro-6-cyclopentyl-2-(3-methylthiophen-2-yl)pyrimidine
SMILESCc1ccsc1-c1nc(Cl)cc(C2CCCC2)n1
InChIInChI=1S/C14H15ClN2S/c1-9-6-7-18-13(9)14-16-11(8-12(15)17-14)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3
InChIKeyVYJQAACNIJTOTD-UHFFFAOYSA-N
MW278.81 g/mol
LogP4.82
Rot. Bonds2

About 4-chloro-6-cyclopentyl-2-(3-methylthiophen-2-yl)pyrimidine

4-chloro-6-cyclopentyl-2-(3-methylthiophen-2-yl)pyrimidine (PubChem CID 113390310) has the molecular formula C14H15ClN2S and a molecular weight of 278.81 g/mol. Its IUPAC name is 4-chloro-6-cyclopentyl-2-(3-methylthiophen-2-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopentyl-2-(3-methylthiophen-2-yl)pyrimidine
PubChem CID113390310
Molecular FormulaC14H15ClN2S
Molecular Weight278.81 g/mol
Exact Mass278.06
IUPAC Name4-chloro-6-cyclopentyl-2-(3-methylthiophen-2-yl)pyrimidine
SMILESCc1ccsc1-c1nc(Cl)cc(C2CCCC2)n1
InChIInChI=1S/C14H15ClN2S/c1-9-6-7-18-13(9)14-16-11(8-12(15)17-14)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3
InChIKeyVYJQAACNIJTOTD-UHFFFAOYSA-N
XLogP4.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.81
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(3-methylthiophen-2-yl)-6-propan-2-ylpyrimidine
CID 43557747
4-chloro-6-cyclopropyl-2-(2,4,6-trimethylphenyl)pyrimidine
CID 63353337
4-chloro-6-cyclopentyl-2-pyrimidin-4-ylpyrimidine
CID 113390238
4-cyclopropyl-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one
CID 135975455
4-chloro-6-cyclopentyl-2-(6-methoxy-3-pyridinyl)pyrimidine
CID 114937710
4-chloro-2-(2-chloro-6-methoxyphenyl)-6-cyclopentylpyrimidine
CID 104816928
4-chloro-2-cycloheptyl-6-cyclopentylpyrimidine
CID 113390255
4-chloro-6-cyclopentyl-2-propan-2-ylpyrimidine
CID 112554769
2-(2-bromo-4-fluorophenyl)-4-chloro-6-cyclopentylpyrimidine
CID 107281079
4,6-dichloro-2-(3-chlorothiophen-2-yl)pyrimidine
CID 131008069
4-chloro-6-cyclopropyl-2-naphthalen-1-ylpyrimidine
CID 63354926
2-(3-bromothiophen-2-yl)-4-chloro-6-methylpyrimidine
CID 115380799

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopentyl-2-(3-methylthiophen-2-yl)pyrimidine?
The IUPAC name of 4-chloro-6-cyclopentyl-2-(3-methylthiophen-2-yl)pyrimidine (CID 113390310) is 4-chloro-6-cyclopentyl-2-(3-methylthiophen-2-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopentyl-2-(3-methylthiophen-2-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-cyclopentyl-2-(3-methylthiophen-2-yl)pyrimidine is Cc1ccsc1-c1nc(Cl)cc(C2CCCC2)n1.
What is the InChIKey of 4-chloro-6-cyclopentyl-2-(3-methylthiophen-2-yl)pyrimidine?
The InChIKey is VYJQAACNIJTOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2S/c1-9-6-7-18-13(9)14-16-11(8-12(15)17-14)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3.
What are the key properties of 4-chloro-6-cyclopentyl-2-(3-methylthiophen-2-yl)pyrimidine?
4-chloro-6-cyclopentyl-2-(3-methylthiophen-2-yl)pyrimidine has a molecular weight of 278.81 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopentyl-2-(3-methylthiophen-2-yl)pyrimidine is sourced from PubChem (CID 113390310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).