[2-(azocan-1-yl)-6-methylpyrimidin-4-yl]methanamine

C13H22N4 — CID 107541533

IUPAC[2-(azocan-1-yl)-6-methylpyrimidin-4-yl]methanamine
SMILESCc1cc(CN)nc(N2CCCCCCC2)n1
InChIInChI=1S/C13H22N4/c1-11-9-12(10-14)16-13(15-11)17-7-5-3-2-4-6-8-17/h9H,2-8,10,14H2,1H3
InChIKeySVDKFIGWESZEKL-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.01
Rot. Bonds2

About [2-(azocan-1-yl)-6-methylpyrimidin-4-yl]methanamine

[2-(azocan-1-yl)-6-methylpyrimidin-4-yl]methanamine (PubChem CID 107541533) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is [2-(azocan-1-yl)-6-methylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(azocan-1-yl)-6-methylpyrimidin-4-yl]methanamine
PubChem CID107541533
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name[2-(azocan-1-yl)-6-methylpyrimidin-4-yl]methanamine
SMILESCc1cc(CN)nc(N2CCCCCCC2)n1
InChIInChI=1S/C13H22N4/c1-11-9-12(10-14)16-13(15-11)17-7-5-3-2-4-6-8-17/h9H,2-8,10,14H2,1H3
InChIKeySVDKFIGWESZEKL-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(azocan-1-yl)-6-methylpyrimidin-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)ethanamine;hydrochloride
CID 82022940
[6-methyl-2-(4-methylazepan-1-yl)pyrimidin-4-yl]methanamine
CID 107542020
4-(chloromethyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 62745550
[6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanamine
CID 107541514
[6-methyl-2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]methanamine
CID 107541777
1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butan-2-amine
CID 55114152
1-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]butan-2-amine
CID 62745059
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-2-amine
CID 55114190
N-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 55114380
1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine
CID 107542094
[6-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine
CID 107541701
1,4-bis(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane
CID 99786904

Frequently Asked Questions

What is the IUPAC name of [2-(azocan-1-yl)-6-methylpyrimidin-4-yl]methanamine?
The IUPAC name of [2-(azocan-1-yl)-6-methylpyrimidin-4-yl]methanamine (CID 107541533) is [2-(azocan-1-yl)-6-methylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(azocan-1-yl)-6-methylpyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(azocan-1-yl)-6-methylpyrimidin-4-yl]methanamine is Cc1cc(CN)nc(N2CCCCCCC2)n1.
What is the InChIKey of [2-(azocan-1-yl)-6-methylpyrimidin-4-yl]methanamine?
The InChIKey is SVDKFIGWESZEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-11-9-12(10-14)16-13(15-11)17-7-5-3-2-4-6-8-17/h9H,2-8,10,14H2,1H3.
What are the key properties of [2-(azocan-1-yl)-6-methylpyrimidin-4-yl]methanamine?
[2-(azocan-1-yl)-6-methylpyrimidin-4-yl]methanamine has a molecular weight of 234.35 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azocan-1-yl)-6-methylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 107541533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).