4-chloro-2-(5-ethylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C13H13ClN2S — CID 62320899

IUPAC4-chloro-2-(5-ethylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCCc1ccc(-c2nc(Cl)c3c(n2)CCC3)s1
InChIInChI=1S/C13H13ClN2S/c1-2-8-6-7-11(17-8)13-15-10-5-3-4-9(10)12(14)16-13/h6-7H,2-5H2,1H3
InChIKeyKDCMOUUATOGZRM-UHFFFAOYSA-N
MW264.78 g/mol
LogP3.91
Rot. Bonds2

About 4-chloro-2-(5-ethylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-chloro-2-(5-ethylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 62320899) has the molecular formula C13H13ClN2S and a molecular weight of 264.78 g/mol. Its IUPAC name is 4-chloro-2-(5-ethylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(5-ethylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID62320899
Molecular FormulaC13H13ClN2S
Molecular Weight264.78 g/mol
Exact Mass264.05
IUPAC Name4-chloro-2-(5-ethylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCCc1ccc(-c2nc(Cl)c3c(n2)CCC3)s1
InChIInChI=1S/C13H13ClN2S/c1-2-8-6-7-11(17-8)13-15-10-5-3-4-9(10)12(14)16-13/h6-7H,2-5H2,1H3
InChIKeyKDCMOUUATOGZRM-UHFFFAOYSA-N
XLogP3.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinazoline
CID 55186179
4,6-dichloro-5-ethyl-2-(5-ethylthiophen-2-yl)pyrimidine
CID 63613023
4-chloro-2-(5-ethylthiophen-2-yl)-5-iodo-6-methylpyrimidine
CID 66313212
2-amino-4-(5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 794070
4-chloro-2-(2-methylfuran-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 104789145
4-chloro-2-(5-ethylthiophen-2-yl)-5-iodo-6-phenylpyrimidine
CID 66313590
4-chloro-2-(5-ethylthiophen-2-yl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 66314228
4-chloro-2-(2-ethylpyrazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 114556653
5-bromo-4-chloro-2-(5-ethylthiophen-2-yl)-7-methoxyquinazoline
CID 114591758
2-(3-bromothiophen-2-yl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 115380805
N-ethyl-2-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63480179
4-chloro-2-pyrimidin-2-yl-5,6,7,8-tetrahydroquinazoline
CID 61382244

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-ethylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-chloro-2-(5-ethylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 62320899) is 4-chloro-2-(5-ethylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(5-ethylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-chloro-2-(5-ethylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is CCc1ccc(-c2nc(Cl)c3c(n2)CCC3)s1.
What is the InChIKey of 4-chloro-2-(5-ethylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is KDCMOUUATOGZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2S/c1-2-8-6-7-11(17-8)13-15-10-5-3-4-9(10)12(14)16-13/h6-7H,2-5H2,1H3.
What are the key properties of 4-chloro-2-(5-ethylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-chloro-2-(5-ethylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 264.78 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-ethylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 62320899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).