2-(5-aminoazepan-2-yl)-1H-pyrimidin-6-one

C10H16N4O — CID 70489863

IUPAC2-(5-aminoazepan-2-yl)-1H-pyrimidin-6-one
SMILESNC1CCNC(c2nccc(=O)[nH]2)CC1
InChIInChI=1S/C10H16N4O/c11-7-1-2-8(12-5-3-7)10-13-6-4-9(15)14-10/h4,6-8,12H,1-3,5,11H2,(H,13,14,15)
InChIKeyVSFMJOARPUTPSR-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.09
Rot. Bonds1

About 2-(5-aminoazepan-2-yl)-1H-pyrimidin-6-one

2-(5-aminoazepan-2-yl)-1H-pyrimidin-6-one (PubChem CID 70489863) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(5-aminoazepan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-aminoazepan-2-yl)-1H-pyrimidin-6-one
PubChem CID70489863
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-(5-aminoazepan-2-yl)-1H-pyrimidin-6-one
SMILESNC1CCNC(c2nccc(=O)[nH]2)CC1
InChIInChI=1S/C10H16N4O/c11-7-1-2-8(12-5-3-7)10-13-6-4-9(15)14-10/h4,6-8,12H,1-3,5,11H2,(H,13,14,15)
InChIKeyVSFMJOARPUTPSR-UHFFFAOYSA-N
XLogP-0.09
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(5-aminoazepan-2-yl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminoazepan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-aminoazepan-2-yl)-1H-pyrimidin-6-one (CID 70489863) is 2-(5-aminoazepan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-aminoazepan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-aminoazepan-2-yl)-1H-pyrimidin-6-one is NC1CCNC(c2nccc(=O)[nH]2)CC1.
What is the InChIKey of 2-(5-aminoazepan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is VSFMJOARPUTPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c11-7-1-2-8(12-5-3-7)10-13-6-4-9(15)14-10/h4,6-8,12H,1-3,5,11H2,(H,13,14,15).
What are the key properties of 2-(5-aminoazepan-2-yl)-1H-pyrimidin-6-one?
2-(5-aminoazepan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of -0.09, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminoazepan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 70489863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).