4-chloro-6-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine

C15H21ClN2O — CID 116745903

IUPAC4-chloro-6-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine
SMILESCOC1(c2nc(Cl)cc(C3CC3)n2)CCC(C)CC1
InChIInChI=1S/C15H21ClN2O/c1-10-5-7-15(19-2,8-6-10)14-17-12(11-3-4-11)9-13(16)18-14/h9-11H,3-8H2,1-2H3
InChIKeySMAKZFNEWSYANQ-UHFFFAOYSA-N
MW280.80 g/mol
LogP4.06
Rot. Bonds3

About 4-chloro-6-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine

4-chloro-6-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine (PubChem CID 116745903) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 4-chloro-6-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine
PubChem CID116745903
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name4-chloro-6-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine
SMILESCOC1(c2nc(Cl)cc(C3CC3)n2)CCC(C)CC1
InChIInChI=1S/C15H21ClN2O/c1-10-5-7-15(19-2,8-6-10)14-17-12(11-3-4-11)9-13(16)18-14/h9-11H,3-8H2,1-2H3
InChIKeySMAKZFNEWSYANQ-UHFFFAOYSA-N
XLogP4.06
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-cyclopentyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine
CID 116746448
4-chloro-6-cyclopropyl-2-(1-methoxycyclopentyl)pyrimidine
CID 104609956
4-chloro-6-cyclopropyl-2-(1-methoxycyclobutyl)pyrimidine
CID 116706276
4-chloro-6-cyclopropyl-2-(1-methoxy-3-methylcyclohexyl)pyrimidine
CID 116745914
4-chloro-6-cyclopentyl-2-(4-methoxyoxan-4-yl)pyrimidine
CID 116746454
4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-methylpyrimidine
CID 116745680
4-chloro-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine
CID 116746100
6-cyclopentyl-2-(1-methoxycyclopentyl)-N-methylpyrimidin-4-amine
CID 104611786
4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739647
4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidine
CID 116745744
4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine-5-carboxylic acid
CID 116775134
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-methoxy-4-methylcyclohexyl)pyrimidine?
The IUPAC name of 4-chloro-6-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine (CID 116745903) is 4-chloro-6-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine?
The canonical SMILES for 4-chloro-6-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine is COC1(c2nc(Cl)cc(C3CC3)n2)CCC(C)CC1.
What is the InChIKey of 4-chloro-6-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine?
The InChIKey is SMAKZFNEWSYANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-10-5-7-15(19-2,8-6-10)14-17-12(11-3-4-11)9-13(16)18-14/h9-11H,3-8H2,1-2H3.
What are the key properties of 4-chloro-6-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine?
4-chloro-6-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine has a molecular weight of 280.80 g/mol, XLogP of 4.06, 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-methoxy-4-methylcyclohexyl)pyrimidine is sourced from PubChem (CID 116745903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).