4-(3-aminocyclobutyl)oxy-2-methyl-1H-pyrimidin-6-one

C9H13N3O2 — CID 114586551

IUPAC4-(3-aminocyclobutyl)oxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OC2CC(N)C2)cc(=O)[nH]1
InChIInChI=1S/C9H13N3O2/c1-5-11-8(13)4-9(12-5)14-7-2-6(10)3-7/h4,6-7H,2-3,10H2,1H3,(H,11,12,13)
InChIKeyZJHWEDHAVVHLMX-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.05
Rot. Bonds2

About 4-(3-aminocyclobutyl)oxy-2-methyl-1H-pyrimidin-6-one

4-(3-aminocyclobutyl)oxy-2-methyl-1H-pyrimidin-6-one (PubChem CID 114586551) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-(3-aminocyclobutyl)oxy-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-aminocyclobutyl)oxy-2-methyl-1H-pyrimidin-6-one
PubChem CID114586551
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-(3-aminocyclobutyl)oxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OC2CC(N)C2)cc(=O)[nH]1
InChIInChI=1S/C9H13N3O2/c1-5-11-8(13)4-9(12-5)14-7-2-6(10)3-7/h4,6-7H,2-3,10H2,1H3,(H,11,12,13)
InChIKeyZJHWEDHAVVHLMX-UHFFFAOYSA-N
XLogP-0.05
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3-aminocyclobutyl)oxy-2-methyl-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 4-(3-aminocyclobutyl)oxy-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-aminocyclobutyl)oxy-2-methyl-1H-pyrimidin-6-one (CID 114586551) is 4-(3-aminocyclobutyl)oxy-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-aminocyclobutyl)oxy-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-aminocyclobutyl)oxy-2-methyl-1H-pyrimidin-6-one is Cc1nc(OC2CC(N)C2)cc(=O)[nH]1.
What is the InChIKey of 4-(3-aminocyclobutyl)oxy-2-methyl-1H-pyrimidin-6-one?
The InChIKey is ZJHWEDHAVVHLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-5-11-8(13)4-9(12-5)14-7-2-6(10)3-7/h4,6-7H,2-3,10H2,1H3,(H,11,12,13).
What are the key properties of 4-(3-aminocyclobutyl)oxy-2-methyl-1H-pyrimidin-6-one?
4-(3-aminocyclobutyl)oxy-2-methyl-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminocyclobutyl)oxy-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114586551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).