4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one

C9H13N3O2 — CID 136696640

IUPAC4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
SMILESCOC1CC(Nc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C9H13N3O2/c1-14-7-2-6(3-7)12-8-4-9(13)11-5-10-8/h4-7H,2-3H2,1H3,(H2,10,11,12,13)
InChIKeyHINNKAKJHBYXHU-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.36
Rot. Bonds3

About 4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one

4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one (PubChem CID 136696640) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
PubChem CID136696640
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
SMILESCOC1CC(Nc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C9H13N3O2/c1-14-7-2-6(3-7)12-8-4-9(13)11-5-10-8/h4-7H,2-3H2,1H3,(H2,10,11,12,13)
InChIKeyHINNKAKJHBYXHU-UHFFFAOYSA-N
XLogP0.36
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(3-methoxycyclobutyl)amino]-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-(3-aminocyclobutyl)oxy-1H-pyrimidin-6-one
CID 114586544
4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696613
4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696622
4-[(3-ethoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136696624
5-amino-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696626
5-chloro-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696627
4-[(3-ethoxycyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136696629
4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696631
5-bromo-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696632
4-[(3-ethoxycyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136696633
4-[(3-methoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136696634
5-methoxy-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696635

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one (CID 136696640) is 4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one is COC1CC(Nc2cc(=O)[nH]cn2)C1.
What is the InChIKey of 4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is HINNKAKJHBYXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-14-7-2-6(3-7)12-8-4-9(13)11-5-10-8/h4-7H,2-3H2,1H3,(H2,10,11,12,13).
What are the key properties of 4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one?
4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136696640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).