1-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]butan-2-amine

C15H26N4 — CID 62745059

IUPAC1-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]butan-2-amine
SMILESCCC(N)Cc1cc(C)nc(N2CCCCCC2)n1
InChIInChI=1S/C15H26N4/c1-3-13(16)11-14-10-12(2)17-15(18-14)19-8-6-4-5-7-9-19/h10,13H,3-9,11,16H2,1-2H3
InChIKeyZXIBFOAVPNPECQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.45
Rot. Bonds4

About 1-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]butan-2-amine

1-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]butan-2-amine (PubChem CID 62745059) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]butan-2-amine
PubChem CID62745059
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]butan-2-amine
SMILESCCC(N)Cc1cc(C)nc(N2CCCCCC2)n1
InChIInChI=1S/C15H26N4/c1-3-13(16)11-14-10-12(2)17-15(18-14)19-8-6-4-5-7-9-19/h10,13H,3-9,11,16H2,1-2H3
InChIKeyZXIBFOAVPNPECQ-UHFFFAOYSA-N
XLogP2.45
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]butan-2-amine?
The IUPAC name of 1-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]butan-2-amine (CID 62745059) is 1-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]butan-2-amine.
What is the SMILES notation for 1-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]butan-2-amine?
The canonical SMILES for 1-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]butan-2-amine is CCC(N)Cc1cc(C)nc(N2CCCCCC2)n1.
What is the InChIKey of 1-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]butan-2-amine?
The InChIKey is ZXIBFOAVPNPECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-13(16)11-14-10-12(2)17-15(18-14)19-8-6-4-5-7-9-19/h10,13H,3-9,11,16H2,1-2H3.
What are the key properties of 1-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]butan-2-amine?
1-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]butan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]butan-2-amine is sourced from PubChem (CID 62745059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).