2-(3-hydroxyanilino)pyrimidine-5-carbaldehyde

C11H9N3O2 — CID 115028979

IUPAC2-(3-hydroxyanilino)pyrimidine-5-carbaldehyde
SMILESO=Cc1cnc(Nc2cccc(O)c2)nc1
InChIInChI=1S/C11H9N3O2/c15-7-8-5-12-11(13-6-8)14-9-2-1-3-10(16)4-9/h1-7,16H,(H,12,13,14)
InChIKeyTYWNTTSJDWGGQV-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.74
Rot. Bonds3

About 2-(3-hydroxyanilino)pyrimidine-5-carbaldehyde

2-(3-hydroxyanilino)pyrimidine-5-carbaldehyde (PubChem CID 115028979) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-(3-hydroxyanilino)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-(3-hydroxyanilino)pyrimidine-5-carbaldehyde
PubChem CID115028979
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name2-(3-hydroxyanilino)pyrimidine-5-carbaldehyde
SMILESO=Cc1cnc(Nc2cccc(O)c2)nc1
InChIInChI=1S/C11H9N3O2/c15-7-8-5-12-11(13-6-8)14-9-2-1-3-10(16)4-9/h1-7,16H,(H,12,13,14)
InChIKeyTYWNTTSJDWGGQV-UHFFFAOYSA-N
XLogP1.74
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]phenol
CID 58542289
ethyl 2,4-bis(3-hydroxyanilino)pyrimidine-5-carboxylate
CID 22060485
3-hydroxybenzaldehyde;methoxymethane
CID 163225851
3-[(4-amino-1,3,5-triazin-2-yl)amino]phenol
CID 4125292
5-(3-hydroxyanilino)-6-methyl-1H-pyrimidin-2-one
CID 115029941
3-[2-[2-[3-(methylsulfonimidoyl)anilino]pyrimidin-5-yl]ethynyl]phenol
CID 25153398
3-[(E)-2-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylanilino]pyrimidin-5-yl]ethenyl]phenol
CID 16662722
3-butoxybenzaldehyde;3-hydroxybenzaldehyde
CID 157058924
3-[[4-[3-[[4,6-bis(3-hydroxyanilino)-1,3,5-triazin-2-yl]methyl]anilino]-6-(3-hydroxyanilino)-1,3,5-triazin-2-yl]methyl]phenol
CID 159987030
3-(pyridin-4-ylamino)phenol
CID 13098457
2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde
CID 165142431
3-[[5-fluoro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenol
CID 22060886

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyanilino)pyrimidine-5-carbaldehyde?
The IUPAC name of 2-(3-hydroxyanilino)pyrimidine-5-carbaldehyde (CID 115028979) is 2-(3-hydroxyanilino)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-(3-hydroxyanilino)pyrimidine-5-carbaldehyde?
The canonical SMILES for 2-(3-hydroxyanilino)pyrimidine-5-carbaldehyde is O=Cc1cnc(Nc2cccc(O)c2)nc1.
What is the InChIKey of 2-(3-hydroxyanilino)pyrimidine-5-carbaldehyde?
The InChIKey is TYWNTTSJDWGGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c15-7-8-5-12-11(13-6-8)14-9-2-1-3-10(16)4-9/h1-7,16H,(H,12,13,14).
What are the key properties of 2-(3-hydroxyanilino)pyrimidine-5-carbaldehyde?
2-(3-hydroxyanilino)pyrimidine-5-carbaldehyde has a molecular weight of 215.21 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyanilino)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 115028979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).