4-chloro-2-(1-ethoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine

C16H25ClN2O — CID 116745747

IUPAC4-chloro-2-(1-ethoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine
SMILESCCOC1(c2nc(Cl)cc(C(C)C)n2)CCCC(C)C1
InChIInChI=1S/C16H25ClN2O/c1-5-20-16(8-6-7-12(4)10-16)15-18-13(11(2)3)9-14(17)19-15/h9,11-12H,5-8,10H2,1-4H3
InChIKeyXPHMVUQSQHYTRB-UHFFFAOYSA-N
MW296.84 g/mol
LogP4.70
Rot. Bonds4

About 4-chloro-2-(1-ethoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine

4-chloro-2-(1-ethoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine (PubChem CID 116745747) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 4-chloro-2-(1-ethoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1-ethoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine
PubChem CID116745747
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name4-chloro-2-(1-ethoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine
SMILESCCOC1(c2nc(Cl)cc(C(C)C)n2)CCCC(C)C1
InChIInChI=1S/C16H25ClN2O/c1-5-20-16(8-6-7-12(4)10-16)15-18-13(11(2)3)9-14(17)19-15/h9,11-12H,5-8,10H2,1-4H3
InChIKeyXPHMVUQSQHYTRB-UHFFFAOYSA-N
XLogP4.70
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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-ethoxy-3-methylcyclohexyl)-5-iodo-6-propan-2-ylpyrimidine
CID 116746228
2-(1-ethoxy-3-methylcyclohexyl)-4-propan-2-yl-1,3-thiazole
CID 116782722
4-chloro-2-(1-methoxycyclohexyl)-6-propan-2-ylpyrimidine
CID 116745751
4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-methylpyrimidine
CID 116745680
4-chloro-6-cyclopropyl-2-(1-methoxy-3-methylcyclohexyl)pyrimidine
CID 116745914
4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidine
CID 116745744
4-chloro-2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)pyrimidine
CID 116746376
4-chloro-2-(1-ethoxycyclohexyl)-6-methylpyrimidine
CID 116745682
(1S)-1-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900379
4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116742839
2-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 116776123
1-cyclopropyl-2-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 116780837

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-ethoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-2-(1-ethoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine (CID 116745747) is 4-chloro-2-(1-ethoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-(1-ethoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-2-(1-ethoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine is CCOC1(c2nc(Cl)cc(C(C)C)n2)CCCC(C)C1.
What is the InChIKey of 4-chloro-2-(1-ethoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine?
The InChIKey is XPHMVUQSQHYTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-5-20-16(8-6-7-12(4)10-16)15-18-13(11(2)3)9-14(17)19-15/h9,11-12H,5-8,10H2,1-4H3.
What are the key properties of 4-chloro-2-(1-ethoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine?
4-chloro-2-(1-ethoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine has a molecular weight of 296.84 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-ethoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine is sourced from PubChem (CID 116745747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).