2-[2-(4-methylazepan-1-yl)pyrimidin-5-yl]ethanamine

C13H22N4 — CID 113388500

IUPAC2-[2-(4-methylazepan-1-yl)pyrimidin-5-yl]ethanamine
SMILESCC1CCCN(c2ncc(CCN)cn2)CC1
InChIInChI=1S/C13H22N4/c1-11-3-2-7-17(8-5-11)13-15-9-12(4-6-14)10-16-13/h9-11H,2-8,14H2,1H3
InChIKeyWQKXMLUDUFRAIN-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.60
Rot. Bonds3

About 2-[2-(4-methylazepan-1-yl)pyrimidin-5-yl]ethanamine

2-[2-(4-methylazepan-1-yl)pyrimidin-5-yl]ethanamine (PubChem CID 113388500) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-[2-(4-methylazepan-1-yl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-methylazepan-1-yl)pyrimidin-5-yl]ethanamine
PubChem CID113388500
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-[2-(4-methylazepan-1-yl)pyrimidin-5-yl]ethanamine
SMILESCC1CCCN(c2ncc(CCN)cn2)CC1
InChIInChI=1S/C13H22N4/c1-11-3-2-7-17(8-5-11)13-15-9-12(4-6-14)10-16-13/h9-11H,2-8,14H2,1H3
InChIKeyWQKXMLUDUFRAIN-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-difluoro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine
CID 63783199
2-piperidin-1-yl-5-propylpyrimidine
CID 123831355
[2-(azepan-1-yl)pyrimidin-5-yl]methanamine
CID 62757844
[6-methyl-2-(4-methylazepan-1-yl)pyrimidin-4-yl]methanamine
CID 107542020
4-methyl-2-(4-methylazepan-1-yl)pyrimidine-5-carboxylic acid
CID 83181691
1-[5-[4-(2-aminoethyl)phenyl]pyrimidin-2-yl]piperidin-3-ol
CID 167812769
4-(4-methylazepan-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80834390
[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]boronic acid
CID 91759249
1-(5-hexylpyrimidin-2-yl)piperidin-4-amine
CID 103278601
azane;2-(4-methylpiperidin-1-yl)pyrimidine
CID 70283358
5-propyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 2811492
2-[2-chloro-6-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63783611

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylazepan-1-yl)pyrimidin-5-yl]ethanamine?
The IUPAC name of 2-[2-(4-methylazepan-1-yl)pyrimidin-5-yl]ethanamine (CID 113388500) is 2-[2-(4-methylazepan-1-yl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(4-methylazepan-1-yl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-[2-(4-methylazepan-1-yl)pyrimidin-5-yl]ethanamine is CC1CCCN(c2ncc(CCN)cn2)CC1.
What is the InChIKey of 2-[2-(4-methylazepan-1-yl)pyrimidin-5-yl]ethanamine?
The InChIKey is WQKXMLUDUFRAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-11-3-2-7-17(8-5-11)13-15-9-12(4-6-14)10-16-13/h9-11H,2-8,14H2,1H3.
What are the key properties of 2-[2-(4-methylazepan-1-yl)pyrimidin-5-yl]ethanamine?
2-[2-(4-methylazepan-1-yl)pyrimidin-5-yl]ethanamine has a molecular weight of 234.35 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylazepan-1-yl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 113388500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).