[2-(2-ethylazepan-1-yl)pyrimidin-5-yl]methanamine

C13H22N4 — CID 104690773

IUPAC[2-(2-ethylazepan-1-yl)pyrimidin-5-yl]methanamine
SMILESCCC1CCCCCN1c1ncc(CN)cn1
InChIInChI=1S/C13H22N4/c1-2-12-6-4-3-5-7-17(12)13-15-9-11(8-14)10-16-13/h9-10,12H,2-8,14H2,1H3
InChIKeyVNRDVSNWMKNLOI-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.09
Rot. Bonds3

About [2-(2-ethylazepan-1-yl)pyrimidin-5-yl]methanamine

[2-(2-ethylazepan-1-yl)pyrimidin-5-yl]methanamine (PubChem CID 104690773) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is [2-(2-ethylazepan-1-yl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2-ethylazepan-1-yl)pyrimidin-5-yl]methanamine
PubChem CID104690773
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name[2-(2-ethylazepan-1-yl)pyrimidin-5-yl]methanamine
SMILESCCC1CCCCCN1c1ncc(CN)cn1
InChIInChI=1S/C13H22N4/c1-2-12-6-4-3-5-7-17(12)13-15-9-11(8-14)10-16-13/h9-10,12H,2-8,14H2,1H3
InChIKeyVNRDVSNWMKNLOI-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-ethylazepan-1-yl)pyrimidin-4-yl]methanamine
CID 107542232
[5-chloro-6-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 62299264
[5-(2-ethylazepan-1-yl)pyrazin-2-yl]methanamine
CID 104688923
[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
CID 104692480
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249279
N-cycloheptyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109263083
[3-(2-ethylazepan-1-yl)phenyl]methanamine
CID 102814297
[1-(5-bromopyrimidin-2-yl)piperidin-2-yl]methanamine
CID 63872286
[4-(2-ethylazepan-1-yl)-2-pyridinyl]methanamine
CID 113441573
[5-chloro-6-(2-ethylazepan-1-yl)-3-pyridinyl]methanol
CID 104691283
2-(2-ethylazepan-1-yl)-4-methylpyrimidine-5-carboxylic acid
CID 104690134
[2-(azepan-1-yl)pyrimidin-5-yl]methanamine
CID 62757844

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylazepan-1-yl)pyrimidin-5-yl]methanamine?
The IUPAC name of [2-(2-ethylazepan-1-yl)pyrimidin-5-yl]methanamine (CID 104690773) is [2-(2-ethylazepan-1-yl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(2-ethylazepan-1-yl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(2-ethylazepan-1-yl)pyrimidin-5-yl]methanamine is CCC1CCCCCN1c1ncc(CN)cn1.
What is the InChIKey of [2-(2-ethylazepan-1-yl)pyrimidin-5-yl]methanamine?
The InChIKey is VNRDVSNWMKNLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-2-12-6-4-3-5-7-17(12)13-15-9-11(8-14)10-16-13/h9-10,12H,2-8,14H2,1H3.
What are the key properties of [2-(2-ethylazepan-1-yl)pyrimidin-5-yl]methanamine?
[2-(2-ethylazepan-1-yl)pyrimidin-5-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-5-yl]methanamine is sourced from PubChem (CID 104690773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).