2-(6-chloro-2-cyclopropylpyrimidin-4-yl)quinoline

C16H12ClN3 — CID 116645194

IUPAC2-(6-chloro-2-cyclopropylpyrimidin-4-yl)quinoline
SMILESClc1cc(-c2ccc3ccccc3n2)nc(C2CC2)n1
InChIInChI=1S/C16H12ClN3/c17-15-9-14(19-16(20-15)11-5-6-11)13-8-7-10-3-1-2-4-12(10)18-13/h1-4,7-9,11H,5-6H2
InChIKeyPCFJBSSZKLEZBS-UHFFFAOYSA-N
MW281.75 g/mol
LogP4.22
Rot. Bonds2

About 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)quinoline

2-(6-chloro-2-cyclopropylpyrimidin-4-yl)quinoline (PubChem CID 116645194) has the molecular formula C16H12ClN3 and a molecular weight of 281.75 g/mol. Its IUPAC name is 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)quinoline.

Molecular Properties

Compound Name2-(6-chloro-2-cyclopropylpyrimidin-4-yl)quinoline
PubChem CID116645194
Molecular FormulaC16H12ClN3
Molecular Weight281.75 g/mol
Exact Mass281.07
IUPAC Name2-(6-chloro-2-cyclopropylpyrimidin-4-yl)quinoline
SMILESClc1cc(-c2ccc3ccccc3n2)nc(C2CC2)n1
InChIInChI=1S/C16H12ClN3/c17-15-9-14(19-16(20-15)11-5-6-11)13-8-7-10-3-1-2-4-12(10)18-13/h1-4,7-9,11H,5-6H2
InChIKeyPCFJBSSZKLEZBS-UHFFFAOYSA-N
XLogP4.22
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(4-methylcyclohexyl)-6-phenylpyrimidine
CID 63404866
4-chloro-2-cyclopropyl-6-(2-propan-2-yloxyphenyl)pyrimidine
CID 80952311
5-(6-chloro-2-cyclopropylpyrimidin-4-yl)isoquinoline
CID 80947514
4-chloro-2-cyclopropyl-6-(3,5-difluorophenyl)pyrimidine
CID 80952148
4-chloro-2-cyclopropyl-6-(2-methylphenyl)sulfanylpyrimidine
CID 80951185
5-bromo-6-cyclopropyl-2-quinolin-2-ylpyrimidin-4-amine
CID 66303348
2-chloro-3-cyclopropylquinoline
CID 14001233
2-quinolin-2-ylquinoline-6-carboxylic acid
CID 177243847
4,6-dichloro-2-cycloundecylpyrimidine
CID 123163685
N-[2-(1,3-benzothiazol-2-yl)ethyl]-6-chloro-2-cyclopropylpyrimidin-4-amine
CID 133431855
6-chloro-2-cyclopropyl-N-(1-phenylpropyl)pyrimidin-4-amine
CID 80950968
3-(6-chloro-2-cyclopropylpyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 80947338

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)quinoline?
The IUPAC name of 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)quinoline (CID 116645194) is 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)quinoline.
What is the SMILES notation for 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)quinoline?
The canonical SMILES for 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)quinoline is Clc1cc(-c2ccc3ccccc3n2)nc(C2CC2)n1.
What is the InChIKey of 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)quinoline?
The InChIKey is PCFJBSSZKLEZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3/c17-15-9-14(19-16(20-15)11-5-6-11)13-8-7-10-3-1-2-4-12(10)18-13/h1-4,7-9,11H,5-6H2.
What are the key properties of 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)quinoline?
2-(6-chloro-2-cyclopropylpyrimidin-4-yl)quinoline has a molecular weight of 281.75 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)quinoline is sourced from PubChem (CID 116645194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).