4-chloro-2-(1-methoxycyclohexyl)-6-propan-2-ylpyrimidine

C14H21ClN2O — CID 116745751

IUPAC4-chloro-2-(1-methoxycyclohexyl)-6-propan-2-ylpyrimidine
SMILESCOC1(c2nc(Cl)cc(C(C)C)n2)CCCCC1
InChIInChI=1S/C14H21ClN2O/c1-10(2)11-9-12(15)17-13(16-11)14(18-3)7-5-4-6-8-14/h9-10H,4-8H2,1-3H3
InChIKeyUTMJBTLUPUJOMP-UHFFFAOYSA-N
MW268.79 g/mol
LogP4.06
Rot. Bonds3

About 4-chloro-2-(1-methoxycyclohexyl)-6-propan-2-ylpyrimidine

4-chloro-2-(1-methoxycyclohexyl)-6-propan-2-ylpyrimidine (PubChem CID 116745751) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-chloro-2-(1-methoxycyclohexyl)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1-methoxycyclohexyl)-6-propan-2-ylpyrimidine
PubChem CID116745751
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name4-chloro-2-(1-methoxycyclohexyl)-6-propan-2-ylpyrimidine
SMILESCOC1(c2nc(Cl)cc(C(C)C)n2)CCCCC1
InChIInChI=1S/C14H21ClN2O/c1-10(2)11-9-12(15)17-13(16-11)14(18-3)7-5-4-6-8-14/h9-10H,4-8H2,1-3H3
InChIKeyUTMJBTLUPUJOMP-UHFFFAOYSA-N
XLogP4.06
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidine
CID 116745744
2-(1-methoxycycloheptyl)-6-propan-2-ylpyrimidin-4-amine
CID 116775665
2-(1-methoxycyclohexyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 116775977
2-(1-methoxycyclopentyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 104611688
4-chloro-6-cyclopropyl-2-(1-methoxycyclopentyl)pyrimidine
CID 104609956
4,6-dichloro-2-(1-methoxycycloheptyl)-5-methylpyrimidine
CID 116745969
4-chloro-2-(1-ethoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine
CID 116745747
4-chloro-6-cyclopropyl-2-(1-methoxycyclobutyl)pyrimidine
CID 116706276
2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine
CID 116775657
5-bromo-4,6-dichloro-2-(1-methoxycyclohexyl)pyrimidine
CID 116746046
4-(chloromethyl)-2-(1-methoxycyclohexyl)-6-methylpyrimidine
CID 116779068
(1S)-1-[2-(1-methoxycycloheptyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431656

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-methoxycyclohexyl)-6-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-2-(1-methoxycyclohexyl)-6-propan-2-ylpyrimidine (CID 116745751) is 4-chloro-2-(1-methoxycyclohexyl)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-(1-methoxycyclohexyl)-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-2-(1-methoxycyclohexyl)-6-propan-2-ylpyrimidine is COC1(c2nc(Cl)cc(C(C)C)n2)CCCCC1.
What is the InChIKey of 4-chloro-2-(1-methoxycyclohexyl)-6-propan-2-ylpyrimidine?
The InChIKey is UTMJBTLUPUJOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10(2)11-9-12(15)17-13(16-11)14(18-3)7-5-4-6-8-14/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-chloro-2-(1-methoxycyclohexyl)-6-propan-2-ylpyrimidine?
4-chloro-2-(1-methoxycyclohexyl)-6-propan-2-ylpyrimidine has a molecular weight of 268.79 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-2-(1-methoxycyclohexyl)-6-propan-2-ylpyrimidine is sourced from PubChem (CID 116745751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).