5-(2,2-dimethylpropylamino)-4-hydroxy-1H-pyrimidin-6-one

C9H15N3O2 — CID 132587864

IUPAC5-(2,2-dimethylpropylamino)-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(C)(C)CNc1c(O)nc[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-9(2,3)4-10-6-7(13)11-5-12-8(6)14/h5,10H,4H2,1-3H3,(H2,11,12,13,14)
InChIKeyWVYSCAYFHVUQEE-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.93
Rot. Bonds2

About 5-(2,2-dimethylpropylamino)-4-hydroxy-1H-pyrimidin-6-one

5-(2,2-dimethylpropylamino)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 132587864) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-(2,2-dimethylpropylamino)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2,2-dimethylpropylamino)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID132587864
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name5-(2,2-dimethylpropylamino)-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(C)(C)CNc1c(O)nc[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-9(2,3)4-10-6-7(13)11-5-12-8(6)14/h5,10H,4H2,1-3H3,(H2,11,12,13,14)
InChIKeyWVYSCAYFHVUQEE-UHFFFAOYSA-N
XLogP0.93
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(2,2-dimethylpropylamino)-4-hydroxy-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-(2,2-dimethylpropylamino)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-(2,2-dimethylpropylamino)-4-hydroxy-1H-pyrimidin-6-one (CID 132587864) is 5-(2,2-dimethylpropylamino)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2,2-dimethylpropylamino)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2,2-dimethylpropylamino)-4-hydroxy-1H-pyrimidin-6-one is CC(C)(C)CNc1c(O)nc[nH]c1=O.
What is the InChIKey of 5-(2,2-dimethylpropylamino)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is WVYSCAYFHVUQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-9(2,3)4-10-6-7(13)11-5-12-8(6)14/h5,10H,4H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 5-(2,2-dimethylpropylamino)-4-hydroxy-1H-pyrimidin-6-one?
5-(2,2-dimethylpropylamino)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.93, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropylamino)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 132587864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).