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

C12H15ClN2O — CID 116706276

IUPAC4-chloro-6-cyclopropyl-2-(1-methoxycyclobutyl)pyrimidine
SMILESCOC1(c2nc(Cl)cc(C3CC3)n2)CCC1
InChIInChI=1S/C12H15ClN2O/c1-16-12(5-2-6-12)11-14-9(8-3-4-8)7-10(13)15-11/h7-8H,2-6H2,1H3
InChIKeyBPYPZJDRWBGQPZ-UHFFFAOYSA-N
MW238.72 g/mol
LogP3.03
Rot. Bonds3

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

4-chloro-6-cyclopropyl-2-(1-methoxycyclobutyl)pyrimidine (PubChem CID 116706276) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 4-chloro-6-cyclopropyl-2-(1-methoxycyclobutyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopropyl-2-(1-methoxycyclobutyl)pyrimidine
PubChem CID116706276
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name4-chloro-6-cyclopropyl-2-(1-methoxycyclobutyl)pyrimidine
SMILESCOC1(c2nc(Cl)cc(C3CC3)n2)CCC1
InChIInChI=1S/C12H15ClN2O/c1-16-12(5-2-6-12)11-14-9(8-3-4-8)7-10(13)15-11/h7-8H,2-6H2,1H3
InChIKeyBPYPZJDRWBGQPZ-UHFFFAOYSA-N
XLogP3.03
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-cyclopropyl-2-(1-methoxycyclopentyl)pyrimidine
CID 104609956
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
4-chloro-6-cyclopropyl-2-(1-phenylcyclobutyl)pyrimidine
CID 63355022
6-cyclopentyl-N-ethyl-2-(1-methoxycyclopentyl)pyrimidin-4-amine
CID 104611787
4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidine
CID 116745744
4-chloro-6-cyclopropyl-2-(1-phenylcyclopentyl)pyrimidine
CID 63405805
6-cyclopropyl-2-(1-ethoxycycloheptyl)pyrimidin-4-amine
CID 116776273

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopropyl-2-(1-methoxycyclobutyl)pyrimidine?
The IUPAC name of 4-chloro-6-cyclopropyl-2-(1-methoxycyclobutyl)pyrimidine (CID 116706276) is 4-chloro-6-cyclopropyl-2-(1-methoxycyclobutyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopropyl-2-(1-methoxycyclobutyl)pyrimidine?
The canonical SMILES for 4-chloro-6-cyclopropyl-2-(1-methoxycyclobutyl)pyrimidine is COC1(c2nc(Cl)cc(C3CC3)n2)CCC1.
What is the InChIKey of 4-chloro-6-cyclopropyl-2-(1-methoxycyclobutyl)pyrimidine?
The InChIKey is BPYPZJDRWBGQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-16-12(5-2-6-12)11-14-9(8-3-4-8)7-10(13)15-11/h7-8H,2-6H2,1H3.
What are the key properties of 4-chloro-6-cyclopropyl-2-(1-methoxycyclobutyl)pyrimidine?
4-chloro-6-cyclopropyl-2-(1-methoxycyclobutyl)pyrimidine has a molecular weight of 238.72 g/mol, XLogP of 3.03, 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-methoxycyclobutyl)pyrimidine is sourced from PubChem (CID 116706276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).