2-cyclohexyl-5-propylpyrimidine

C13H20N2 — CID 57193046

IUPAC2-cyclohexyl-5-propylpyrimidine
SMILESCCCc1cnc(C2CCCCC2)nc1
InChIInChI=1S/C13H20N2/c1-2-6-11-9-14-13(15-10-11)12-7-4-3-5-8-12/h9-10,12H,2-8H2,1H3
InChIKeyGKCUDBZQBOPSBK-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.48
Rot. Bonds3

About 2-cyclohexyl-5-propylpyrimidine

2-cyclohexyl-5-propylpyrimidine (PubChem CID 57193046) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-cyclohexyl-5-propylpyrimidine.

Molecular Properties

Compound Name2-cyclohexyl-5-propylpyrimidine
PubChem CID57193046
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-cyclohexyl-5-propylpyrimidine
SMILESCCCc1cnc(C2CCCCC2)nc1
InChIInChI=1S/C13H20N2/c1-2-6-11-9-14-13(15-10-11)12-7-4-3-5-8-12/h9-10,12H,2-8H2,1H3
InChIKeyGKCUDBZQBOPSBK-UHFFFAOYSA-N
XLogP3.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-butyl-2-cyclohexylpyrimidine
CID 154503798
5-(chloromethyl)-2-cyclohexylpyrimidine
CID 62755900
(2-cyclooctylpyrimidin-5-yl)methanamine
CID 80610612
2-(2-cyclopropylpyrimidin-5-yl)ethanamine
CID 62757903
5-pentyl-2-[4-[(4-propylphenoxy)methyl]cyclohexyl]pyrimidine
CID 21288641
2-cyclopentylpyrimidin-5-ol
CID 20542594
2-cyclopentylpyrimidine-5-carbaldehyde
CID 58228458
5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]pyrimidine
CID 19839806
2-piperidin-1-yl-5-propylpyrimidine
CID 123831355
5-ethyl-2-piperidin-4-ylpyrimidine
CID 83697990
2-[2-(3-methylcyclopentyl)pyrimidin-5-yl]ethanamine
CID 65415056
4,6-dichloro-2-cyclooctyl-5-propylpyrimidine
CID 80602250

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-propylpyrimidine?
The IUPAC name of 2-cyclohexyl-5-propylpyrimidine (CID 57193046) is 2-cyclohexyl-5-propylpyrimidine.
What is the SMILES notation for 2-cyclohexyl-5-propylpyrimidine?
The canonical SMILES for 2-cyclohexyl-5-propylpyrimidine is CCCc1cnc(C2CCCCC2)nc1.
What is the InChIKey of 2-cyclohexyl-5-propylpyrimidine?
The InChIKey is GKCUDBZQBOPSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-6-11-9-14-13(15-10-11)12-7-4-3-5-8-12/h9-10,12H,2-8H2,1H3.
What are the key properties of 2-cyclohexyl-5-propylpyrimidine?
2-cyclohexyl-5-propylpyrimidine has a molecular weight of 204.32 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-propylpyrimidine is sourced from PubChem (CID 57193046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).