4-chloro-6-cyclohexyloxy-2-cyclopropyl-5-methylpyrimidine

C14H19ClN2O — CID 80973778

IUPAC4-chloro-6-cyclohexyloxy-2-cyclopropyl-5-methylpyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1OC1CCCCC1
InChIInChI=1S/C14H19ClN2O/c1-9-12(15)16-13(10-7-8-10)17-14(9)18-11-5-3-2-4-6-11/h10-11H,2-8H2,1H3
InChIKeyNVWBWELCEGEPFH-UHFFFAOYSA-N
MW266.77 g/mol
LogP4.03
Rot. Bonds3

About 4-chloro-6-cyclohexyloxy-2-cyclopropyl-5-methylpyrimidine

4-chloro-6-cyclohexyloxy-2-cyclopropyl-5-methylpyrimidine (PubChem CID 80973778) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 4-chloro-6-cyclohexyloxy-2-cyclopropyl-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclohexyloxy-2-cyclopropyl-5-methylpyrimidine
PubChem CID80973778
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name4-chloro-6-cyclohexyloxy-2-cyclopropyl-5-methylpyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1OC1CCCCC1
InChIInChI=1S/C14H19ClN2O/c1-9-12(15)16-13(10-7-8-10)17-14(9)18-11-5-3-2-4-6-11/h10-11H,2-8H2,1H3
InChIKeyNVWBWELCEGEPFH-UHFFFAOYSA-N
XLogP4.03
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-4-chloro-6-cyclobutyloxy-5-methylpyrimidine
CID 80973288
4-chloro-6-cyclopentyloxy-5-methyl-2-propylpyrimidine
CID 80974080
6-chloro-N-cycloheptyl-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80970000
4-chloro-6-cyclohexyloxy-2-cyclopropylpyrimidine
CID 80948330
6-cyclobutyloxy-2-cyclopropyl-5-methyl-N-propylpyrimidin-4-amine
CID 80991023
4-chloro-2-cyclopropyl-6-(2,2-difluoroethoxy)-5-methylpyrimidine
CID 82004865
4-chloro-2-cyclopropyl-5-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine
CID 80974516
2-cyclopropyl-N,5-dimethyl-6-(3-methylcyclohexyl)oxypyrimidin-4-amine
CID 80989722
4-chloro-2-cyclopropyl-6-(3,5-difluorophenoxy)-5-methylpyrimidine
CID 80974330
4-chloro-2-cyclopropyl-6-(2-methoxyphenoxy)-5-methylpyrimidine
CID 80973921
6-chloro-4-cyclohexyloxy-3,7-dimethyl-2,3-dihydro-1H-pyrazolo[4,3-c]pyridine
CID 123154502
4-chloro-2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidine
CID 114470154

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclohexyloxy-2-cyclopropyl-5-methylpyrimidine?
The IUPAC name of 4-chloro-6-cyclohexyloxy-2-cyclopropyl-5-methylpyrimidine (CID 80973778) is 4-chloro-6-cyclohexyloxy-2-cyclopropyl-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-cyclohexyloxy-2-cyclopropyl-5-methylpyrimidine?
The canonical SMILES for 4-chloro-6-cyclohexyloxy-2-cyclopropyl-5-methylpyrimidine is Cc1c(Cl)nc(C2CC2)nc1OC1CCCCC1.
What is the InChIKey of 4-chloro-6-cyclohexyloxy-2-cyclopropyl-5-methylpyrimidine?
The InChIKey is NVWBWELCEGEPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9-12(15)16-13(10-7-8-10)17-14(9)18-11-5-3-2-4-6-11/h10-11H,2-8H2,1H3.
What are the key properties of 4-chloro-6-cyclohexyloxy-2-cyclopropyl-5-methylpyrimidine?
4-chloro-6-cyclohexyloxy-2-cyclopropyl-5-methylpyrimidine has a molecular weight of 266.77 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclohexyloxy-2-cyclopropyl-5-methylpyrimidine is sourced from PubChem (CID 80973778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).