4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one

C7H11N3O2 — CID 136956084

IUPAC4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(CO)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C7H11N3O2/c1-5(3-11)10-6-2-7(12)9-4-8-6/h2,4-5,11H,3H2,1H3,(H2,8,9,10,12)
InChIKeyYXMGJVKWEQCYRE-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.44
Rot. Bonds3

About 4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one

4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 136956084) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID136956084
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(CO)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C7H11N3O2/c1-5(3-11)10-6-2-7(12)9-4-8-6/h2,4-5,11H,3H2,1H3,(H2,8,9,10,12)
InChIKeyYXMGJVKWEQCYRE-UHFFFAOYSA-N
XLogP-0.44
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(1-hydroxypropan-2-ylamino)-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

2-[(2-hydroxyethyl)amino]-6-methylpyrimidin-4(3H)-one
CID 135403602
6-((2-Hydroxyethyl)amino)pyrimidin-4(1H)-one
CID 136271513
2-hydroxy-N-(1-methyl-6-oxopyrimidin-4-yl)acetamide
CID 12778122
2-Amino-6-(1-hydroxypropan-2-ylamino)-3-methylpyrimidin-4-one
CID 130611731
2-Amino-6-[(2-hydroxyethyl)amino]pyrimidin-4(1h)-one
CID 135408652
4-[4-hydroxybutyl(methyl)amino]-1H-pyrimidin-6-one
CID 135453817
4-[cyclobutyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136827315
4-(propan-2-ylamino)-1H-pyrimidin-6-one
CID 136828750
4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one
CID 136866839
4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870609
4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136870610
4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1H-pyrimidin-6-one
CID 136871935

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one (CID 136956084) is 4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one is CC(CO)Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is YXMGJVKWEQCYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-5(3-11)10-6-2-7(12)9-4-8-6/h2,4-5,11H,3H2,1H3,(H2,8,9,10,12).
What are the key properties of 4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one?
4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 169.18 g/mol, XLogP of -0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).