4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidine

C16H25ClN2O — CID 116745744

IUPAC4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidine
SMILESCOC1(c2nc(Cl)cc(C(C)C)n2)CCC(C)(C)CC1
InChIInChI=1S/C16H25ClN2O/c1-11(2)12-10-13(17)19-14(18-12)16(20-5)8-6-15(3,4)7-9-16/h10-11H,6-9H2,1-5H3
InChIKeyZBBDFSXVFPJKCZ-UHFFFAOYSA-N
MW296.84 g/mol
LogP4.70
Rot. Bonds3

About 4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidine

4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidine (PubChem CID 116745744) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidine
PubChem CID116745744
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidine
SMILESCOC1(c2nc(Cl)cc(C(C)C)n2)CCC(C)(C)CC1
InChIInChI=1S/C16H25ClN2O/c1-11(2)12-10-13(17)19-14(18-12)16(20-5)8-6-15(3,4)7-9-16/h10-11H,6-9H2,1-5H3
InChIKeyZBBDFSXVFPJKCZ-UHFFFAOYSA-N
XLogP4.70
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(1-methoxycyclohexyl)-6-propan-2-ylpyrimidine
CID 116745751
2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine
CID 116775657
4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidine
CID 116745853
4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)pyrimidine
CID 116745761
2-(1-methoxycycloheptyl)-6-propan-2-ylpyrimidin-4-amine
CID 116775665
4-chloro-2-(1-ethoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine
CID 116745747
4-chloro-6-cyclopropyl-2-(1-methoxycyclopentyl)pyrimidine
CID 104609956
2-(1-methoxycyclopentyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 104611688
4-chloro-6-cyclopropyl-2-(1-methoxycyclobutyl)pyrimidine
CID 116706276
2-(1-methoxycyclohexyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 116775977
4-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 116781945
6-tert-butyl-2-(1-methoxy-4,4-dimethylcyclohexyl)pyrimidin-4-amine
CID 116775622

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidine (CID 116745744) is 4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidine is COC1(c2nc(Cl)cc(C(C)C)n2)CCC(C)(C)CC1.
What is the InChIKey of 4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidine?
The InChIKey is ZBBDFSXVFPJKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-11(2)12-10-13(17)19-14(18-12)16(20-5)8-6-15(3,4)7-9-16/h10-11H,6-9H2,1-5H3.
What are the key properties of 4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidine?
4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidine has a molecular weight of 296.84 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidine is sourced from PubChem (CID 116745744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).