4-hydroxy-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one

C9H13N3O2 — CID 105448883

IUPAC4-hydroxy-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(CC2CCCN2)[nH]1
InChIInChI=1S/C9H13N3O2/c13-8-5-9(14)12-7(11-8)4-6-2-1-3-10-6/h5-6,10H,1-4H2,(H2,11,12,13,14)
InChIKeyRWVBWNOIWZBCIE-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.23
Rot. Bonds2

About 4-hydroxy-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one

4-hydroxy-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 105448883) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-hydroxy-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID105448883
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-hydroxy-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(CC2CCCN2)[nH]1
InChIInChI=1S/C9H13N3O2/c13-8-5-9(14)12-7(11-8)4-6-2-1-3-10-6/h5-6,10H,1-4H2,(H2,11,12,13,14)
InChIKeyRWVBWNOIWZBCIE-UHFFFAOYSA-N
XLogP-0.23
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-2-(pyrrolidin-2-ylmethyl)-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

5-fluoro-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 80550946
2-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136305635
4-hydroxy-2-piperidin-2-yl-1H-pyrimidin-6-one
CID 63554278
2-(2-Aminopropyl)pyrimidine-4,6-diol
CID 63554645
4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 63555529
2-(1-aminobutyl)-4-hydroxy-1H-pyrimidin-6-one
CID 63555530
2-(2-aminobutyl)-4-hydroxy-1H-pyrimidin-6-one
CID 63555540
2-[2-(cyclopropylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one
CID 82469140
4-hydroxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 105439300
4-hydroxy-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one
CID 105440519
4-hydroxy-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 105448882
4-hydroxy-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
CID 105462841

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one (CID 105448883) is 4-hydroxy-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one is O=c1cc(O)nc(CC2CCCN2)[nH]1.
What is the InChIKey of 4-hydroxy-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is RWVBWNOIWZBCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-8-5-9(14)12-7(11-8)4-6-2-1-3-10-6/h5-6,10H,1-4H2,(H2,11,12,13,14).
What are the key properties of 4-hydroxy-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one?
4-hydroxy-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 105448883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).