2-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-amine

C13H22N4 — CID 80934998

IUPAC2-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-amine
SMILESCCc1nc(N)cc(N2CCCCCC2C)n1
InChIInChI=1S/C13H22N4/c1-3-12-15-11(14)9-13(16-12)17-8-6-4-5-7-10(17)2/h9-10H,3-8H2,1-2H3,(H2,14,15,16)
InChIKeyJLNAWVNEUJRVAK-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.39
Rot. Bonds2

About 2-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-amine

2-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-amine (PubChem CID 80934998) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-amine
PubChem CID80934998
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-amine
SMILESCCc1nc(N)cc(N2CCCCCC2C)n1
InChIInChI=1S/C13H22N4/c1-3-12-15-11(14)9-13(16-12)17-8-6-4-5-7-10(17)2/h9-10H,3-8H2,1-2H3,(H2,14,15,16)
InChIKeyJLNAWVNEUJRVAK-UHFFFAOYSA-N
XLogP2.39
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-ethyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine
CID 80936973
6-(2-methylazepan-1-yl)pyrimidin-4-amine
CID 80835319
3-[1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80935418
[6-(2-methylazepan-1-yl)-2-propylpyrimidin-4-yl]hydrazine
CID 80947173
6-(4-cyclopentylpiperazin-1-yl)-2-ethylpyrimidin-4-amine
CID 80934683
6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 66520649
2-tert-butyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80967534
6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-ethylpyrimidin-4-amine
CID 80933210
6-(2-methylazepan-1-yl)pyrazin-2-amine
CID 80647238
2-ethyl-6-(4-methylsulfanylazepan-1-yl)pyrimidin-4-amine
CID 114238687
2-ethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80935279
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethylpyrimidin-4-amine
CID 115563079

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-amine (CID 80934998) is 2-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-amine is CCc1nc(N)cc(N2CCCCCC2C)n1.
What is the InChIKey of 2-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-amine?
The InChIKey is JLNAWVNEUJRVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-12-15-11(14)9-13(16-12)17-8-6-4-5-7-10(17)2/h9-10H,3-8H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-amine?
2-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-amine has a molecular weight of 234.35 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80934998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).