5-(3-hydroxyanilino)-6-methyl-1H-pyrimidin-2-one

C11H11N3O2 — CID 115029941

IUPAC5-(3-hydroxyanilino)-6-methyl-1H-pyrimidin-2-one
SMILESCc1[nH]c(=O)ncc1Nc1cccc(O)c1
InChIInChI=1S/C11H11N3O2/c1-7-10(6-12-11(16)13-7)14-8-3-2-4-9(15)5-8/h2-6,14-15H,1H3,(H,12,13,16)
InChIKeyQDICYEIRKGFABN-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.53
Rot. Bonds2

About 5-(3-hydroxyanilino)-6-methyl-1H-pyrimidin-2-one

5-(3-hydroxyanilino)-6-methyl-1H-pyrimidin-2-one (PubChem CID 115029941) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 5-(3-hydroxyanilino)-6-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(3-hydroxyanilino)-6-methyl-1H-pyrimidin-2-one
PubChem CID115029941
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name5-(3-hydroxyanilino)-6-methyl-1H-pyrimidin-2-one
SMILESCc1[nH]c(=O)ncc1Nc1cccc(O)c1
InChIInChI=1S/C11H11N3O2/c1-7-10(6-12-11(16)13-7)14-8-3-2-4-9(15)5-8/h2-6,14-15H,1H3,(H,12,13,16)
InChIKeyQDICYEIRKGFABN-UHFFFAOYSA-N
XLogP1.53
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(3-hydroxyanilino)-6-methyl-1H-pyrimidin-2-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-(3-bromoanilino)-6-methyl-1H-pyrimidin-2-one
CID 115051501
5-[4-(aminomethyl)anilino]-6-methyl-1H-pyrimidin-2-one
CID 115037766
5-(3-hydroxyphenyl)-6-methyl-1H-pyrimidin-2-one
CID 13377503
6-(3-hydroxyanilino)-1H-1,3,5-triazine-2,4-dione
CID 45093594
2-(3-hydroxyanilino)pyrimidine-5-carbaldehyde
CID 115028979
3-(2,6-dimethylanilino)phenol
CID 53407688
3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]phenol
CID 58542289
3-[(4-nitro-3-pyridinyl)amino]phenol
CID 22164899
4-ethyl-2-(3-hydroxyanilino)-1H-pyrimidin-6-one
CID 135763936
2-hydroxy-6-(3-hydroxyanilino)-4-methylbenzaldehyde
CID 19980734
4-(3-hydroxyanilino)pyridine-3-carboxylic acid
CID 115037604
4,5-bis(3-hydroxyanilino)benzene-1,2-dicarboxamide
CID 22076446

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyanilino)-6-methyl-1H-pyrimidin-2-one?
The IUPAC name of 5-(3-hydroxyanilino)-6-methyl-1H-pyrimidin-2-one (CID 115029941) is 5-(3-hydroxyanilino)-6-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(3-hydroxyanilino)-6-methyl-1H-pyrimidin-2-one?
The canonical SMILES for 5-(3-hydroxyanilino)-6-methyl-1H-pyrimidin-2-one is Cc1[nH]c(=O)ncc1Nc1cccc(O)c1.
What is the InChIKey of 5-(3-hydroxyanilino)-6-methyl-1H-pyrimidin-2-one?
The InChIKey is QDICYEIRKGFABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-7-10(6-12-11(16)13-7)14-8-3-2-4-9(15)5-8/h2-6,14-15H,1H3,(H,12,13,16).
What are the key properties of 5-(3-hydroxyanilino)-6-methyl-1H-pyrimidin-2-one?
5-(3-hydroxyanilino)-6-methyl-1H-pyrimidin-2-one has a molecular weight of 217.23 g/mol, XLogP of 1.53, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyanilino)-6-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 115029941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).