6-(azocan-1-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine

C17H28N4 — CID 80982039

IUPAC6-(azocan-1-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(C2CC2)nc(N2CCCCCCC2)c1C
InChIInChI=1S/C17H28N4/c1-3-18-15-13(2)17(20-16(19-15)14-9-10-14)21-11-7-5-4-6-8-12-21/h14H,3-12H2,1-2H3,(H,18,19,20)
InChIKeyNXFWEVKMHXQOEG-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.86
Rot. Bonds4

About 6-(azocan-1-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine

6-(azocan-1-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine (PubChem CID 80982039) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 6-(azocan-1-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(azocan-1-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
PubChem CID80982039
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name6-(azocan-1-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(C2CC2)nc(N2CCCCCCC2)c1C
InChIInChI=1S/C17H28N4/c1-3-18-15-13(2)17(20-16(19-15)14-9-10-14)21-11-7-5-4-6-8-12-21/h14H,3-12H2,1-2H3,(H,18,19,20)
InChIKeyNXFWEVKMHXQOEG-UHFFFAOYSA-N
XLogP3.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-ethyl-5-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 80981359
2-cyclopropyl-N-ethyl-5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80980816
2-cyclopropyl-6-(4,4-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80984725
2-cyclopropyl-6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80992120
acetaldehyde;6-(azepan-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 142817671
2-[1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 114802868
2-cyclopropyl-5-methyl-6-piperazin-1-yl-N-propylpyrimidin-4-amine
CID 80984339
2-cyclopropyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80992622
2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine
CID 80984939
N-ethyl-5-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80981685
2-cyclopropyl-6-(4,5-dimethylimidazol-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80988896
2-cyclopropyl-6-(3,3-dimethylmorpholin-4-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80986182

Frequently Asked Questions

What is the IUPAC name of 6-(azocan-1-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(azocan-1-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine (CID 80982039) is 6-(azocan-1-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(azocan-1-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(azocan-1-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine is CCNc1nc(C2CC2)nc(N2CCCCCCC2)c1C.
What is the InChIKey of 6-(azocan-1-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is NXFWEVKMHXQOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-3-18-15-13(2)17(20-16(19-15)14-9-10-14)21-11-7-5-4-6-8-12-21/h14H,3-12H2,1-2H3,(H,18,19,20).
What are the key properties of 6-(azocan-1-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine?
6-(azocan-1-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 288.44 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azocan-1-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80982039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).