4-[(1-aminocycloheptyl)methoxy]-1H-pyrimidin-6-one

C12H19N3O2 — CID 114586495

IUPAC4-[(1-aminocycloheptyl)methoxy]-1H-pyrimidin-6-one
SMILESNC1(COc2cc(=O)[nH]cn2)CCCCCC1
InChIInChI=1S/C12H19N3O2/c13-12(5-3-1-2-4-6-12)8-17-11-7-10(16)14-9-15-11/h7,9H,1-6,8,13H2,(H,14,15,16)
InChIKeyNBQYHOLZQWKXQT-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.20
Rot. Bonds3

About 4-[(1-aminocycloheptyl)methoxy]-1H-pyrimidin-6-one

4-[(1-aminocycloheptyl)methoxy]-1H-pyrimidin-6-one (PubChem CID 114586495) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[(1-aminocycloheptyl)methoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-aminocycloheptyl)methoxy]-1H-pyrimidin-6-one
PubChem CID114586495
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-[(1-aminocycloheptyl)methoxy]-1H-pyrimidin-6-one
SMILESNC1(COc2cc(=O)[nH]cn2)CCCCCC1
InChIInChI=1S/C12H19N3O2/c13-12(5-3-1-2-4-6-12)8-17-11-7-10(16)14-9-15-11/h7,9H,1-6,8,13H2,(H,14,15,16)
InChIKeyNBQYHOLZQWKXQT-UHFFFAOYSA-N
XLogP1.20
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(1-aminocycloheptyl)methoxy]-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

Related Compounds

4-[(1-aminocyclohexyl)methoxy]-5-iodo-1H-pyrimidin-6-one
CID 113604882
5-amino-4-[(1-aminocycloheptyl)methoxy]-1H-pyrimidin-6-one
CID 113604885
4-[(1-aminocyclopentyl)methoxy]-1H-pyrimidin-6-one
CID 114586462
4-[(1-aminocyclohexyl)methoxy]-1H-pyrimidin-6-one
CID 114586469
4-[(1-aminocycloheptyl)methoxy]-5-chloro-1H-pyrimidin-6-one
CID 114586494
4-[(1-aminocycloheptyl)methoxy]-5-methoxy-1H-pyrimidin-6-one
CID 114586499
4-[(1-aminocycloheptyl)methoxy]-5-bromo-1H-pyrimidin-6-one
CID 114586500
4-[(1-aminocycloheptyl)methoxy]-2-methyl-1H-pyrimidin-6-one
CID 114586501
4-[(1-aminocycloheptyl)methoxy]-5-iodo-1H-pyrimidin-6-one
CID 114586502
4-(2-aminocycloheptyl)oxy-1H-pyrimidin-6-one
CID 114586582

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocycloheptyl)methoxy]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-aminocycloheptyl)methoxy]-1H-pyrimidin-6-one (CID 114586495) is 4-[(1-aminocycloheptyl)methoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-aminocycloheptyl)methoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-aminocycloheptyl)methoxy]-1H-pyrimidin-6-one is NC1(COc2cc(=O)[nH]cn2)CCCCCC1.
What is the InChIKey of 4-[(1-aminocycloheptyl)methoxy]-1H-pyrimidin-6-one?
The InChIKey is NBQYHOLZQWKXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c13-12(5-3-1-2-4-6-12)8-17-11-7-10(16)14-9-15-11/h7,9H,1-6,8,13H2,(H,14,15,16).
What are the key properties of 4-[(1-aminocycloheptyl)methoxy]-1H-pyrimidin-6-one?
4-[(1-aminocycloheptyl)methoxy]-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocycloheptyl)methoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114586495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).