4-[(3-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one

C8H13N3O2 — CID 136956794

IUPAC4-[(3-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
SMILESCC(CO)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C8H13N3O2/c1-6(4-12)3-9-7-2-8(13)11-5-10-7/h2,5-6,12H,3-4H2,1H3,(H2,9,10,11,13)
InChIKeyLTFHHIIVBRWEFG-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.19
Rot. Bonds4

About 4-[(3-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one

4-[(3-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one (PubChem CID 136956794) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-[(3-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
PubChem CID136956794
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-[(3-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
SMILESCC(CO)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C8H13N3O2/c1-6(4-12)3-9-7-2-8(13)11-5-10-7/h2,5-6,12H,3-4H2,1H3,(H2,9,10,11,13)
InChIKeyLTFHHIIVBRWEFG-UHFFFAOYSA-N
XLogP-0.19
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(3-hydroxy-2-methylpropyl)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

Related Compounds

4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136738480
2-Amino-6-((3-hydroxy-2,2-dimethylpropyl)amino)-4-pyrimidinol
CID 135406826
2-Amino-6-((3-hydroxypropyl)amino)-4-pyrimidinol
CID 135489793
6-((2-Hydroxyethyl)amino)pyrimidin-4(1H)-one
CID 136271513
4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136849687
4-[methyl(2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136957461
2-Amino-1-(3-hydroxy-2-methylpropyl)pyrimidin-4-one
CID 170585250
4-[4-hydroxybutyl(propyl)amino]-1H-pyrimidin-6-one
CID 135412672
4-[4-hydroxybutyl(methyl)amino]-1H-pyrimidin-6-one
CID 135453817
4-[ethyl(4-hydroxybutyl)amino]-1H-pyrimidin-6-one
CID 135453823
4-[butyl(4-hydroxybutyl)amino]-1H-pyrimidin-6-one
CID 135492319
4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730527

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one (CID 136956794) is 4-[(3-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one is CC(CO)CNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(3-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is LTFHHIIVBRWEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6(4-12)3-9-7-2-8(13)11-5-10-7/h2,5-6,12H,3-4H2,1H3,(H2,9,10,11,13).
What are the key properties of 4-[(3-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
4-[(3-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of -0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).