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

C17H25ClN2O — CID 116746448

IUPAC4-chloro-6-cyclopentyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine
SMILESCOC1(c2nc(Cl)cc(C3CCCC3)n2)CCC(C)CC1
InChIInChI=1S/C17H25ClN2O/c1-12-7-9-17(21-2,10-8-12)16-19-14(11-15(18)20-16)13-5-3-4-6-13/h11-13H,3-10H2,1-2H3
InChIKeySWWYWPZVJCMBQN-UHFFFAOYSA-N
MW308.85 g/mol
LogP4.84
Rot. Bonds3

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

4-chloro-6-cyclopentyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine (PubChem CID 116746448) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 4-chloro-6-cyclopentyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopentyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine
PubChem CID116746448
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name4-chloro-6-cyclopentyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine
SMILESCOC1(c2nc(Cl)cc(C3CCCC3)n2)CCC(C)CC1
InChIInChI=1S/C17H25ClN2O/c1-12-7-9-17(21-2,10-8-12)16-19-14(11-15(18)20-16)13-5-3-4-6-13/h11-13H,3-10H2,1-2H3
InChIKeySWWYWPZVJCMBQN-UHFFFAOYSA-N
XLogP4.84
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine
CID 116745903
4-chloro-6-cyclopropyl-2-(1-methoxycyclopentyl)pyrimidine
CID 104609956
4-chloro-6-cyclopropyl-2-(1-methoxycyclobutyl)pyrimidine
CID 116706276
4-chloro-6-cyclopentyl-2-(4-methoxyoxan-4-yl)pyrimidine
CID 116746454
4-chloro-6-cyclopropyl-2-(1-methoxy-3-methylcyclohexyl)pyrimidine
CID 116745914
6-cyclopentyl-2-(1-methoxycyclopentyl)-N-methylpyrimidin-4-amine
CID 104611786
6-cyclopentyl-N-ethyl-2-(1-methoxycyclopentyl)pyrimidin-4-amine
CID 104611787
4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-methylpyrimidine
CID 116745680
4,6-dichloro-5-cyclopentyl-2-(1-methoxycyclohexyl)pyrimidine
CID 116746440
4-chloro-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine
CID 116746100
4-chloro-2-(1-methoxycyclohexyl)-6-propan-2-ylpyrimidine
CID 116745751
4-chloro-2-cycloheptyl-6-cyclopentylpyrimidine
CID 113390255

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopentyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine?
The IUPAC name of 4-chloro-6-cyclopentyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine (CID 116746448) is 4-chloro-6-cyclopentyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopentyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine?
The canonical SMILES for 4-chloro-6-cyclopentyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine is COC1(c2nc(Cl)cc(C3CCCC3)n2)CCC(C)CC1.
What is the InChIKey of 4-chloro-6-cyclopentyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine?
The InChIKey is SWWYWPZVJCMBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-12-7-9-17(21-2,10-8-12)16-19-14(11-15(18)20-16)13-5-3-4-6-13/h11-13H,3-10H2,1-2H3.
What are the key properties of 4-chloro-6-cyclopentyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine?
4-chloro-6-cyclopentyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine has a molecular weight of 308.85 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopentyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine is sourced from PubChem (CID 116746448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).