4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one

C11H19N3O2 — CID 136847970

IUPAC4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(C)C(CCO)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C11H19N3O2/c1-11(2,3)8(4-5-15)14-9-6-10(16)13-7-12-9/h6-8,15H,4-5H2,1-3H3,(H2,12,13,14,16)
InChIKeyQELCDCLLXRSRMJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.98
Rot. Bonds4

About 4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one

4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136847970) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136847970
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(C)C(CCO)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C11H19N3O2/c1-11(2,3)8(4-5-15)14-9-6-10(16)13-7-12-9/h6-8,15H,4-5H2,1-3H3,(H2,12,13,14,16)
InChIKeyQELCDCLLXRSRMJ-UHFFFAOYSA-N
XLogP0.98
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(1-hydroxy-4,4-dimethylpentan-3-yl)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

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one (CID 136847970) is 4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one is CC(C)(C)C(CCO)Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is QELCDCLLXRSRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(2,3)8(4-5-15)14-9-6-10(16)13-7-12-9/h6-8,15H,4-5H2,1-3H3,(H2,12,13,14,16).
What are the key properties of 4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one?
4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136847970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).