4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine

C14H24N4 — CID 80835435

IUPAC4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(N2CCCCCC2C)n1
InChIInChI=1S/C14H24N4/c1-3-9-15-14-16-10-8-13(17-14)18-11-6-4-5-7-12(18)2/h8,10,12H,3-7,9,11H2,1-2H3,(H,15,16,17)
InChIKeyOQAYRTSNAOFTPP-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.07
Rot. Bonds4

About 4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine

4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine (PubChem CID 80835435) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine
PubChem CID80835435
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(N2CCCCCC2C)n1
InChIInChI=1S/C14H24N4/c1-3-9-15-14-16-10-8-13(17-14)18-11-6-4-5-7-12(18)2/h8,10,12H,3-7,9,11H2,1-2H3,(H,15,16,17)
InChIKeyOQAYRTSNAOFTPP-UHFFFAOYSA-N
XLogP3.07
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(2-methylpiperidin-1-yl)pyrimidin-2-amine
CID 80766699
5-fluoro-4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80836408
5-methyl-4-(2-methylpiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80767020
5-bromo-4-(2-methylpiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80766777
1-[2-(propylamino)pyrimidin-4-yl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103198671
N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 112887183
4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80784615
4-(4,4-dimethylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80843521
N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112887792
N-butyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112882993
N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-cyclohexyl-N'-methylethane-1,2-diamine
CID 90747007
N-[[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62285071

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine (CID 80835435) is 4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine is CCCNc1nccc(N2CCCCCC2C)n1.
What is the InChIKey of 4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine?
The InChIKey is OQAYRTSNAOFTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-9-15-14-16-10-8-13(17-14)18-11-6-4-5-7-12(18)2/h8,10,12H,3-7,9,11H2,1-2H3,(H,15,16,17).
What are the key properties of 4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine?
4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine has a molecular weight of 248.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80835435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).