[2-(azepan-1-yl)pyrimidin-5-yl]methanamine

C11H18N4 — CID 62757844

IUPAC[2-(azepan-1-yl)pyrimidin-5-yl]methanamine
SMILESNCc1cnc(N2CCCCCC2)nc1
InChIInChI=1S/C11H18N4/c12-7-10-8-13-11(14-9-10)15-5-3-1-2-4-6-15/h8-9H,1-7,12H2
InChIKeyZFHDKWLJKKTCMX-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.32
Rot. Bonds2

About [2-(azepan-1-yl)pyrimidin-5-yl]methanamine

[2-(azepan-1-yl)pyrimidin-5-yl]methanamine (PubChem CID 62757844) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is [2-(azepan-1-yl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(azepan-1-yl)pyrimidin-5-yl]methanamine
PubChem CID62757844
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name[2-(azepan-1-yl)pyrimidin-5-yl]methanamine
SMILESNCc1cnc(N2CCCCCC2)nc1
InChIInChI=1S/C11H18N4/c12-7-10-8-13-11(14-9-10)15-5-3-1-2-4-6-15/h8-9H,1-7,12H2
InChIKeyZFHDKWLJKKTCMX-UHFFFAOYSA-N
XLogP1.32
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(azepan-1-yl)pyrimidin-5-yl]methanamine?
The IUPAC name of [2-(azepan-1-yl)pyrimidin-5-yl]methanamine (CID 62757844) is [2-(azepan-1-yl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(azepan-1-yl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(azepan-1-yl)pyrimidin-5-yl]methanamine is NCc1cnc(N2CCCCCC2)nc1.
What is the InChIKey of [2-(azepan-1-yl)pyrimidin-5-yl]methanamine?
The InChIKey is ZFHDKWLJKKTCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c12-7-10-8-13-11(14-9-10)15-5-3-1-2-4-6-15/h8-9H,1-7,12H2.
What are the key properties of [2-(azepan-1-yl)pyrimidin-5-yl]methanamine?
[2-(azepan-1-yl)pyrimidin-5-yl]methanamine has a molecular weight of 206.29 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azepan-1-yl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 62757844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).