4-cyclohexyloxy-N-ethylpyrimidin-2-amine

C12H19N3O — CID 80858273

IUPAC4-cyclohexyloxy-N-ethylpyrimidin-2-amine
SMILESCCNc1nccc(OC2CCCCC2)n1
InChIInChI=1S/C12H19N3O/c1-2-13-12-14-9-8-11(15-12)16-10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H,13,14,15)
InChIKeyZJGQLZJPXDUEAJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.62
Rot. Bonds4

About 4-cyclohexyloxy-N-ethylpyrimidin-2-amine

4-cyclohexyloxy-N-ethylpyrimidin-2-amine (PubChem CID 80858273) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-cyclohexyloxy-N-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclohexyloxy-N-ethylpyrimidin-2-amine
PubChem CID80858273
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-cyclohexyloxy-N-ethylpyrimidin-2-amine
SMILESCCNc1nccc(OC2CCCCC2)n1
InChIInChI=1S/C12H19N3O/c1-2-13-12-14-9-8-11(15-12)16-10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H,13,14,15)
InChIKeyZJGQLZJPXDUEAJ-UHFFFAOYSA-N
XLogP2.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cycloheptyloxy-N-propylpyrimidin-2-amine
CID 80871966
(4-cyclohexyloxypyrimidin-2-yl)hydrazine
CID 80909755
(4-cyclobutyloxypyrimidin-2-yl)hydrazine
CID 80930849
4-(3-ethylcyclohexyl)oxy-N-methylpyrimidin-2-amine
CID 80876393
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
N-cycloheptyl-4-ethoxypyrimidin-2-amine
CID 112636626
4-cyclobutyloxy-N-ethyl-6-methylpyrimidin-2-amine
CID 80873770
4-cycloheptyloxy-N-ethyl-5-methylpyrimidin-2-amine
CID 80871066
5-chloro-4-cycloheptyloxy-N-ethylpyrimidin-2-amine
CID 80870663
N-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine
CID 112636877
[4-(3-methoxycyclohexyl)oxypyrimidin-2-yl]hydrazine
CID 80925744
4-butoxy-N-ethylpyrimidin-2-amine
CID 80865329

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-N-ethylpyrimidin-2-amine?
The IUPAC name of 4-cyclohexyloxy-N-ethylpyrimidin-2-amine (CID 80858273) is 4-cyclohexyloxy-N-ethylpyrimidin-2-amine.
What is the SMILES notation for 4-cyclohexyloxy-N-ethylpyrimidin-2-amine?
The canonical SMILES for 4-cyclohexyloxy-N-ethylpyrimidin-2-amine is CCNc1nccc(OC2CCCCC2)n1.
What is the InChIKey of 4-cyclohexyloxy-N-ethylpyrimidin-2-amine?
The InChIKey is ZJGQLZJPXDUEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-13-12-14-9-8-11(15-12)16-10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H,13,14,15).
What are the key properties of 4-cyclohexyloxy-N-ethylpyrimidin-2-amine?
4-cyclohexyloxy-N-ethylpyrimidin-2-amine has a molecular weight of 221.30 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-N-ethylpyrimidin-2-amine is sourced from PubChem (CID 80858273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).