4-chloro-6-cyclopropyl-2-(1-methoxycyclopentyl)pyrimidine

C13H17ClN2O — CID 104609956

IUPAC4-chloro-6-cyclopropyl-2-(1-methoxycyclopentyl)pyrimidine
SMILESCOC1(c2nc(Cl)cc(C3CC3)n2)CCCC1
InChIInChI=1S/C13H17ClN2O/c1-17-13(6-2-3-7-13)12-15-10(9-4-5-9)8-11(14)16-12/h8-9H,2-7H2,1H3
InChIKeyGJFYJPQHLFRCRC-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.42
Rot. Bonds3

About 4-chloro-6-cyclopropyl-2-(1-methoxycyclopentyl)pyrimidine

4-chloro-6-cyclopropyl-2-(1-methoxycyclopentyl)pyrimidine (PubChem CID 104609956) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 4-chloro-6-cyclopropyl-2-(1-methoxycyclopentyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopropyl-2-(1-methoxycyclopentyl)pyrimidine
PubChem CID104609956
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name4-chloro-6-cyclopropyl-2-(1-methoxycyclopentyl)pyrimidine
SMILESCOC1(c2nc(Cl)cc(C3CC3)n2)CCCC1
InChIInChI=1S/C13H17ClN2O/c1-17-13(6-2-3-7-13)12-15-10(9-4-5-9)8-11(14)16-12/h8-9H,2-7H2,1H3
InChIKeyGJFYJPQHLFRCRC-UHFFFAOYSA-N
XLogP3.42
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-cyclopropyl-2-(1-methoxycyclobutyl)pyrimidine
CID 116706276
4-chloro-6-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine
CID 116745903
4-chloro-6-cyclopropyl-2-(1-methoxy-3-methylcyclohexyl)pyrimidine
CID 116745914
4-chloro-6-cyclopentyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine
CID 116746448
4-chloro-6-cyclopentyl-2-(4-methoxyoxan-4-yl)pyrimidine
CID 116746454
6-cyclopentyl-2-(1-methoxycyclopentyl)-N-methylpyrimidin-4-amine
CID 104611786
4-chloro-2-(1-methoxycyclohexyl)-6-propan-2-ylpyrimidine
CID 116745751
6-cyclopentyl-N-ethyl-2-(1-methoxycyclopentyl)pyrimidin-4-amine
CID 104611787
4-chloro-6-cyclopropyl-2-(1-phenylcyclopentyl)pyrimidine
CID 63405805
4,6-dichloro-5-cyclopentyl-2-(1-methoxycyclohexyl)pyrimidine
CID 116746440
4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidine
CID 116745744
4-chloro-6-cyclopropyl-2-(1-phenylcyclobutyl)pyrimidine
CID 63355022

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopropyl-2-(1-methoxycyclopentyl)pyrimidine?
The IUPAC name of 4-chloro-6-cyclopropyl-2-(1-methoxycyclopentyl)pyrimidine (CID 104609956) is 4-chloro-6-cyclopropyl-2-(1-methoxycyclopentyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopropyl-2-(1-methoxycyclopentyl)pyrimidine?
The canonical SMILES for 4-chloro-6-cyclopropyl-2-(1-methoxycyclopentyl)pyrimidine is COC1(c2nc(Cl)cc(C3CC3)n2)CCCC1.
What is the InChIKey of 4-chloro-6-cyclopropyl-2-(1-methoxycyclopentyl)pyrimidine?
The InChIKey is GJFYJPQHLFRCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-17-13(6-2-3-7-13)12-15-10(9-4-5-9)8-11(14)16-12/h8-9H,2-7H2,1H3.
What are the key properties of 4-chloro-6-cyclopropyl-2-(1-methoxycyclopentyl)pyrimidine?
4-chloro-6-cyclopropyl-2-(1-methoxycyclopentyl)pyrimidine has a molecular weight of 252.74 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopropyl-2-(1-methoxycyclopentyl)pyrimidine is sourced from PubChem (CID 104609956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).