4-chloro-2-(3-methylcyclohexyl)-6-propylpyrimidine

C14H21ClN2 — CID 63405027

IUPAC4-chloro-2-(3-methylcyclohexyl)-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(C2CCCC(C)C2)n1
InChIInChI=1S/C14H21ClN2/c1-3-5-12-9-13(15)17-14(16-12)11-7-4-6-10(2)8-11/h9-11H,3-8H2,1-2H3
InChIKeyHFEJDMHWJSATRP-UHFFFAOYSA-N
MW252.79 g/mol
LogP4.38
Rot. Bonds3

About 4-chloro-2-(3-methylcyclohexyl)-6-propylpyrimidine

4-chloro-2-(3-methylcyclohexyl)-6-propylpyrimidine (PubChem CID 63405027) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 4-chloro-2-(3-methylcyclohexyl)-6-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-methylcyclohexyl)-6-propylpyrimidine
PubChem CID63405027
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name4-chloro-2-(3-methylcyclohexyl)-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(C2CCCC(C)C2)n1
InChIInChI=1S/C14H21ClN2/c1-3-5-12-9-13(15)17-14(16-12)11-7-4-6-10(2)8-11/h9-11H,3-8H2,1-2H3
InChIKeyHFEJDMHWJSATRP-UHFFFAOYSA-N
XLogP4.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-methylcyclohexyl)-6-propylpyrimidine?
The IUPAC name of 4-chloro-2-(3-methylcyclohexyl)-6-propylpyrimidine (CID 63405027) is 4-chloro-2-(3-methylcyclohexyl)-6-propylpyrimidine.
What is the SMILES notation for 4-chloro-2-(3-methylcyclohexyl)-6-propylpyrimidine?
The canonical SMILES for 4-chloro-2-(3-methylcyclohexyl)-6-propylpyrimidine is CCCc1cc(Cl)nc(C2CCCC(C)C2)n1.
What is the InChIKey of 4-chloro-2-(3-methylcyclohexyl)-6-propylpyrimidine?
The InChIKey is HFEJDMHWJSATRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-3-5-12-9-13(15)17-14(16-12)11-7-4-6-10(2)8-11/h9-11H,3-8H2,1-2H3.
What are the key properties of 4-chloro-2-(3-methylcyclohexyl)-6-propylpyrimidine?
4-chloro-2-(3-methylcyclohexyl)-6-propylpyrimidine has a molecular weight of 252.79 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-methylcyclohexyl)-6-propylpyrimidine is sourced from PubChem (CID 63405027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).