[2-(2-ethylazepan-1-yl)pyrimidin-4-yl]methanamine

C13H22N4 — CID 107542232

IUPAC[2-(2-ethylazepan-1-yl)pyrimidin-4-yl]methanamine
SMILESCCC1CCCCCN1c1nccc(CN)n1
InChIInChI=1S/C13H22N4/c1-2-12-6-4-3-5-9-17(12)13-15-8-7-11(10-14)16-13/h7-8,12H,2-6,9-10,14H2,1H3
InChIKeyDUCJGODFBAOIKR-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.09
Rot. Bonds3

About [2-(2-ethylazepan-1-yl)pyrimidin-4-yl]methanamine

[2-(2-ethylazepan-1-yl)pyrimidin-4-yl]methanamine (PubChem CID 107542232) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is [2-(2-ethylazepan-1-yl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2-ethylazepan-1-yl)pyrimidin-4-yl]methanamine
PubChem CID107542232
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name[2-(2-ethylazepan-1-yl)pyrimidin-4-yl]methanamine
SMILESCCC1CCCCCN1c1nccc(CN)n1
InChIInChI=1S/C13H22N4/c1-2-12-6-4-3-5-9-17(12)13-15-8-7-11(10-14)16-13/h7-8,12H,2-6,9-10,14H2,1H3
InChIKeyDUCJGODFBAOIKR-UHFFFAOYSA-N
XLogP2.09
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methylazepan-1-yl)pyrimidin-4-yl]methanamine
CID 107542053
2-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 116796494
[4-(2-ethylazepan-1-yl)-2-pyridinyl]methanamine
CID 113441573
2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 107553615
2-(2-ethylpyrrolidin-1-yl)pyrimidine-4-carbothioamide
CID 107546728
[2-(2-ethylazepan-1-yl)pyrimidin-5-yl]methanamine
CID 104690773
[5-(2-ethylazepan-1-yl)pyrazin-2-yl]methanamine
CID 104688923
[(2R)-1-(4-chloropyrimidin-2-yl)piperidin-2-yl]methanamine
CID 97165385
[1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine
CID 112638544
[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrimidin-4-yl]methanamine
CID 107542080
[1-(4-cyclohexylpyrimidin-2-yl)piperidin-2-yl]methanamine
CID 103279135
N-(4-bromophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112900944

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylazepan-1-yl)pyrimidin-4-yl]methanamine?
The IUPAC name of [2-(2-ethylazepan-1-yl)pyrimidin-4-yl]methanamine (CID 107542232) is [2-(2-ethylazepan-1-yl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(2-ethylazepan-1-yl)pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(2-ethylazepan-1-yl)pyrimidin-4-yl]methanamine is CCC1CCCCCN1c1nccc(CN)n1.
What is the InChIKey of [2-(2-ethylazepan-1-yl)pyrimidin-4-yl]methanamine?
The InChIKey is DUCJGODFBAOIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-2-12-6-4-3-5-9-17(12)13-15-8-7-11(10-14)16-13/h7-8,12H,2-6,9-10,14H2,1H3.
What are the key properties of [2-(2-ethylazepan-1-yl)pyrimidin-4-yl]methanamine?
[2-(2-ethylazepan-1-yl)pyrimidin-4-yl]methanamine has a molecular weight of 234.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylazepan-1-yl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 107542232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).