N-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine

C15H24N4 — CID 55114380

IUPACN-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)nc(N2CCCCCC2)n1
InChIInChI=1S/C15H24N4/c1-12-10-14(11-16-13-6-7-13)18-15(17-12)19-8-4-2-3-5-9-19/h10,13,16H,2-9,11H2,1H3
InChIKeyGMHZDBNAVRXIFV-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.42
Rot. Bonds4

About N-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine

N-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine (PubChem CID 55114380) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
PubChem CID55114380
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)nc(N2CCCCCC2)n1
InChIInChI=1S/C15H24N4/c1-12-10-14(11-16-13-6-7-13)18-15(17-12)19-8-4-2-3-5-9-19/h10,13,16H,2-9,11H2,1H3
InChIKeyGMHZDBNAVRXIFV-UHFFFAOYSA-N
XLogP2.42
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine (CID 55114380) is N-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine is Cc1cc(CNC2CC2)nc(N2CCCCCC2)n1.
What is the InChIKey of N-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine?
The InChIKey is GMHZDBNAVRXIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-12-10-14(11-16-13-6-7-13)18-15(17-12)19-8-4-2-3-5-9-19/h10,13,16H,2-9,11H2,1H3.
What are the key properties of N-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine?
N-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine has a molecular weight of 260.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55114380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).