4-chloro-2-cyclopropyl-6-(thiophen-2-ylmethyl)pyrimidine

C12H11ClN2S — CID 121205893

IUPAC4-chloro-2-cyclopropyl-6-(thiophen-2-ylmethyl)pyrimidine
SMILESClc1cc(Cc2cccs2)nc(C2CC2)n1
InChIInChI=1S/C12H11ClN2S/c13-11-7-9(6-10-2-1-5-16-10)14-12(15-11)8-3-4-8/h1-2,5,7-8H,3-4,6H2
InChIKeyLRVFOMSFWYBWOK-UHFFFAOYSA-N
MW250.75 g/mol
LogP3.66
Rot. Bonds3

About 4-chloro-2-cyclopropyl-6-(thiophen-2-ylmethyl)pyrimidine

4-chloro-2-cyclopropyl-6-(thiophen-2-ylmethyl)pyrimidine (PubChem CID 121205893) has the molecular formula C12H11ClN2S and a molecular weight of 250.75 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-(thiophen-2-ylmethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-(thiophen-2-ylmethyl)pyrimidine
PubChem CID121205893
Molecular FormulaC12H11ClN2S
Molecular Weight250.75 g/mol
Exact Mass250.03
IUPAC Name4-chloro-2-cyclopropyl-6-(thiophen-2-ylmethyl)pyrimidine
SMILESClc1cc(Cc2cccs2)nc(C2CC2)n1
InChIInChI=1S/C12H11ClN2S/c13-11-7-9(6-10-2-1-5-16-10)14-12(15-11)8-3-4-8/h1-2,5,7-8H,3-4,6H2
InChIKeyLRVFOMSFWYBWOK-UHFFFAOYSA-N
XLogP3.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-cyclopropyl-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80953768
4-chloro-2-cyclopropyl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrimidine
CID 133416457
6-chloro-2-cyclopropyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 80951010
2-cyclopropyl-6-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80969142
2-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80968050
4-cycloheptyl-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine
CID 63867175
6-chloro-2-cyclopropyl-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80980118
4-chloro-2-cyclooctyl-6-propylpyrimidine
CID 80602535
2-cyclopropyl-N,5-dimethyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80990031
4-chloro-2-cyclooctyl-6-(2-methylpropyl)pyrimidine
CID 80603227
5-chloro-2-cyclohexyl-3-cyclopropyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 170643758
4,6-dichloro-2-cycloundecylpyrimidine
CID 123163685

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-(thiophen-2-ylmethyl)pyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-(thiophen-2-ylmethyl)pyrimidine (CID 121205893) is 4-chloro-2-cyclopropyl-6-(thiophen-2-ylmethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-(thiophen-2-ylmethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-(thiophen-2-ylmethyl)pyrimidine is Clc1cc(Cc2cccs2)nc(C2CC2)n1.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-(thiophen-2-ylmethyl)pyrimidine?
The InChIKey is LRVFOMSFWYBWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2S/c13-11-7-9(6-10-2-1-5-16-10)14-12(15-11)8-3-4-8/h1-2,5,7-8H,3-4,6H2.
What are the key properties of 4-chloro-2-cyclopropyl-6-(thiophen-2-ylmethyl)pyrimidine?
4-chloro-2-cyclopropyl-6-(thiophen-2-ylmethyl)pyrimidine has a molecular weight of 250.75 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-(thiophen-2-ylmethyl)pyrimidine is sourced from PubChem (CID 121205893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).