5-chloro-4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one

C9H12ClN3O2 — CID 136977412

IUPAC5-chloro-4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCC2(O)CCC2)c1Cl
InChIInChI=1S/C9H12ClN3O2/c10-6-7(12-5-13-8(6)14)11-4-9(15)2-1-3-9/h5,15H,1-4H2,(H2,11,12,13,14)
InChIKeyZHBKDUBYTGWHBX-UHFFFAOYSA-N
MW229.67 g/mol
LogP0.75
Rot. Bonds3

About 5-chloro-4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one

5-chloro-4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136977412) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is 5-chloro-4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136977412
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Name5-chloro-4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCC2(O)CCC2)c1Cl
InChIInChI=1S/C9H12ClN3O2/c10-6-7(12-5-13-8(6)14)11-4-9(15)2-1-3-9/h5,15H,1-4H2,(H2,11,12,13,14)
InChIKeyZHBKDUBYTGWHBX-UHFFFAOYSA-N
XLogP0.75
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-[(1-hydroxycyclobutyl)methylamino]-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 5-chloro-4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one (CID 136977412) is 5-chloro-4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one is O=c1[nH]cnc(NCC2(O)CCC2)c1Cl.
What is the InChIKey of 5-chloro-4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is ZHBKDUBYTGWHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c10-6-7(12-5-13-8(6)14)11-4-9(15)2-1-3-9/h5,15H,1-4H2,(H2,11,12,13,14).
What are the key properties of 5-chloro-4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one?
5-chloro-4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 229.67 g/mol, XLogP of 0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136977412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).