N-[[2-(azepan-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine

C14H22N4 — CID 55113924

IUPACN-[[2-(azepan-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESc1nc(N2CCCCCC2)ncc1CNC1CC1
InChIInChI=1S/C14H22N4/c1-2-4-8-18(7-3-1)14-16-10-12(11-17-14)9-15-13-5-6-13/h10-11,13,15H,1-9H2
InChIKeyGANRWVDAFOQEAT-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.11
Rot. Bonds4

About N-[[2-(azepan-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine

N-[[2-(azepan-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine (PubChem CID 55113924) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-[[2-(azepan-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(azepan-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
PubChem CID55113924
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-[[2-(azepan-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESc1nc(N2CCCCCC2)ncc1CNC1CC1
InChIInChI=1S/C14H22N4/c1-2-4-8-18(7-3-1)14-16-10-12(11-17-14)9-15-13-5-6-13/h10-11,13,15H,1-9H2
InChIKeyGANRWVDAFOQEAT-UHFFFAOYSA-N
XLogP2.11
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.11
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)pyrimidin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(azepan-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine (CID 55113924) is N-[[2-(azepan-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(azepan-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(azepan-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine is c1nc(N2CCCCCC2)ncc1CNC1CC1.
What is the InChIKey of N-[[2-(azepan-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine?
The InChIKey is GANRWVDAFOQEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-2-4-8-18(7-3-1)14-16-10-12(11-17-14)9-15-13-5-6-13/h10-11,13,15H,1-9H2.
What are the key properties of N-[[2-(azepan-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine?
N-[[2-(azepan-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine has a molecular weight of 246.36 g/mol, XLogP of 2.11, 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)pyrimidin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55113924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).