4-cyclobutyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one

C10H13N3O — CID 3279813

IUPAC4-cyclobutyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
SMILESO=c1nc2c(c(C3CCC3)[nH]1)CCN2
InChIInChI=1S/C10H13N3O/c14-10-12-8(6-2-1-3-6)7-4-5-11-9(7)13-10/h6H,1-5H2,(H2,11,12,13,14)
InChIKeyXVBYQKDSHYGFMQ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.01
Rot. Bonds1

About 4-cyclobutyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one

4-cyclobutyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 3279813) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-cyclobutyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-cyclobutyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
PubChem CID3279813
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name4-cyclobutyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
SMILESO=c1nc2c(c(C3CCC3)[nH]1)CCN2
InChIInChI=1S/C10H13N3O/c14-10-12-8(6-2-1-3-6)7-4-5-11-9(7)13-10/h6H,1-5H2,(H2,11,12,13,14)
InChIKeyXVBYQKDSHYGFMQ-UHFFFAOYSA-N
XLogP1.01
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-cyclobutyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-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-cyclobutyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-cyclobutyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one (CID 3279813) is 4-cyclobutyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-cyclobutyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-cyclobutyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one is O=c1nc2c(c(C3CCC3)[nH]1)CCN2.
What is the InChIKey of 4-cyclobutyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is XVBYQKDSHYGFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c14-10-12-8(6-2-1-3-6)7-4-5-11-9(7)13-10/h6H,1-5H2,(H2,11,12,13,14).
What are the key properties of 4-cyclobutyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
4-cyclobutyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one has a molecular weight of 191.23 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 3279813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).