3-[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine

C16H28N4 — CID 65293619

IUPAC3-[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine
SMILESCc1nc(N2CCCCCC2)nc(C)c1CC(C)CN
InChIInChI=1S/C16H28N4/c1-12(11-17)10-15-13(2)18-16(19-14(15)3)20-8-6-4-5-7-9-20/h12H,4-11,17H2,1-3H3
InChIKeyXPVJARHCZQNFGC-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.61
Rot. Bonds4

About 3-[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine

3-[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine (PubChem CID 65293619) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 3-[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine
PubChem CID65293619
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name3-[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine
SMILESCc1nc(N2CCCCCC2)nc(C)c1CC(C)CN
InChIInChI=1S/C16H28N4/c1-12(11-17)10-15-13(2)18-16(19-14(15)3)20-8-6-4-5-7-9-20/h12H,4-11,17H2,1-3H3
InChIKeyXPVJARHCZQNFGC-UHFFFAOYSA-N
XLogP2.61
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanamine;hydrochloride
CID 82021870
3-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)propan-1-amine
CID 55113725
1-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)-N-methylmethanamine
CID 62745478
N-[[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62746715
2-(azepan-1-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 62913450
3-[2-(cyclobutylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine
CID 112754319
3-[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine
CID 106445974
N-[(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine
CID 62746380
5-ethyl-N,6-dimethyl-2-piperidin-1-ylpyrimidin-4-amine
CID 62190547
3-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-methylpropan-1-amine
CID 62745440
2,4,6-tri(piperidin-1-yl)-1,3,5-triazine
CID 2827031
2-[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
CID 62096386

Frequently Asked Questions

What is the IUPAC name of 3-[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine (CID 65293619) is 3-[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine is Cc1nc(N2CCCCCC2)nc(C)c1CC(C)CN.
What is the InChIKey of 3-[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine?
The InChIKey is XPVJARHCZQNFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-12(11-17)10-15-13(2)18-16(19-14(15)3)20-8-6-4-5-7-9-20/h12H,4-11,17H2,1-3H3.
What are the key properties of 3-[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine?
3-[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine has a molecular weight of 276.43 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 65293619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).