[6-methyl-2-(4-methylazepan-1-yl)pyrimidin-4-yl]methanamine

C13H22N4 — CID 107542020

IUPAC[6-methyl-2-(4-methylazepan-1-yl)pyrimidin-4-yl]methanamine
SMILESCc1cc(CN)nc(N2CCCC(C)CC2)n1
InChIInChI=1S/C13H22N4/c1-10-4-3-6-17(7-5-10)13-15-11(2)8-12(9-14)16-13/h8,10H,3-7,9,14H2,1-2H3
InChIKeyQAZAMBLGTPJDMD-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.87
Rot. Bonds2

About [6-methyl-2-(4-methylazepan-1-yl)pyrimidin-4-yl]methanamine

[6-methyl-2-(4-methylazepan-1-yl)pyrimidin-4-yl]methanamine (PubChem CID 107542020) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is [6-methyl-2-(4-methylazepan-1-yl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[6-methyl-2-(4-methylazepan-1-yl)pyrimidin-4-yl]methanamine
PubChem CID107542020
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name[6-methyl-2-(4-methylazepan-1-yl)pyrimidin-4-yl]methanamine
SMILESCc1cc(CN)nc(N2CCCC(C)CC2)n1
InChIInChI=1S/C13H22N4/c1-10-4-3-6-17(7-5-10)13-15-11(2)8-12(9-14)16-13/h8,10H,3-7,9,14H2,1-2H3
InChIKeyQAZAMBLGTPJDMD-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine
CID 107541701
[2-(azocan-1-yl)-6-methylpyrimidin-4-yl]methanamine
CID 107541533
4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidine
CID 78845238
1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine
CID 107542094
6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 56724721
4-methyl-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112909232
[6-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanamine
CID 28904443
4-methyl-2-(3-methylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidine
CID 112910746
[6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanamine
CID 107541514
2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)ethanamine;hydrochloride
CID 82022940
[6-methyl-2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]methanamine
CID 107541777
4-methyl-6-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112909491

Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-(4-methylazepan-1-yl)pyrimidin-4-yl]methanamine?
The IUPAC name of [6-methyl-2-(4-methylazepan-1-yl)pyrimidin-4-yl]methanamine (CID 107542020) is [6-methyl-2-(4-methylazepan-1-yl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [6-methyl-2-(4-methylazepan-1-yl)pyrimidin-4-yl]methanamine?
The canonical SMILES for [6-methyl-2-(4-methylazepan-1-yl)pyrimidin-4-yl]methanamine is Cc1cc(CN)nc(N2CCCC(C)CC2)n1.
What is the InChIKey of [6-methyl-2-(4-methylazepan-1-yl)pyrimidin-4-yl]methanamine?
The InChIKey is QAZAMBLGTPJDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10-4-3-6-17(7-5-10)13-15-11(2)8-12(9-14)16-13/h8,10H,3-7,9,14H2,1-2H3.
What are the key properties of [6-methyl-2-(4-methylazepan-1-yl)pyrimidin-4-yl]methanamine?
[6-methyl-2-(4-methylazepan-1-yl)pyrimidin-4-yl]methanamine has a molecular weight of 234.35 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-(4-methylazepan-1-yl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 107542020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).