2-[[4-(4-hydroxyanilino)-6-pyridin-2-ylpyrimidin-2-yl]amino]acetic acid

C17H15N5O3 — CID 137061757

IUPAC2-[[4-(4-hydroxyanilino)-6-pyridin-2-ylpyrimidin-2-yl]amino]acetic acid
SMILESO=C(O)CNc1nc(Nc2ccc(O)cc2)cc(-c2ccccn2)n1
InChIInChI=1S/C17H15N5O3/c23-12-6-4-11(5-7-12)20-15-9-14(13-3-1-2-8-18-13)21-17(22-15)19-10-16(24)25/h1-9,23H,10H2,(H,24,25)(H2,19,20,21,22)
InChIKeyZXKNUMOXFNKRDP-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.48
Rot. Bonds6

About 2-[[4-(4-hydroxyanilino)-6-pyridin-2-ylpyrimidin-2-yl]amino]acetic acid

2-[[4-(4-hydroxyanilino)-6-pyridin-2-ylpyrimidin-2-yl]amino]acetic acid (PubChem CID 137061757) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is 2-[[4-(4-hydroxyanilino)-6-pyridin-2-ylpyrimidin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(4-hydroxyanilino)-6-pyridin-2-ylpyrimidin-2-yl]amino]acetic acid
PubChem CID137061757
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC Name2-[[4-(4-hydroxyanilino)-6-pyridin-2-ylpyrimidin-2-yl]amino]acetic acid
SMILESO=C(O)CNc1nc(Nc2ccc(O)cc2)cc(-c2ccccn2)n1
InChIInChI=1S/C17H15N5O3/c23-12-6-4-11(5-7-12)20-15-9-14(13-3-1-2-8-18-13)21-17(22-15)19-10-16(24)25/h1-9,23H,10H2,(H,24,25)(H2,19,20,21,22)
InChIKeyZXKNUMOXFNKRDP-UHFFFAOYSA-N
XLogP2.48
TPSA120.26 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-4-[[2-(2-hydroxyethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol
CID 137061753
2,6-dichloro-4-[[2-[2-(dimethylamino)ethylamino]-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol
CID 137148651
4-chloro-2-[[2-(ethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol
CID 137148603
4-[[2-[[(2S)-butan-2-yl]amino]-6-pyridin-2-ylpyrimidin-4-yl]amino]-2,6-dichlorophenol
CID 137148638
N-(4-phenoxyphenyl)-2-phenyl-6-pyridin-2-ylpyrimidin-4-amine
CID 3321417
2,6-dichloro-4-[[2-(cyclohexylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol
CID 137061750
methyl 4-[[6-methyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]benzoate
CID 112919358
2-phenyl-6-pyridin-2-yl-N-pyrimidin-2-ylpyrimidin-4-amine
CID 3411544
azane;2-(4-hydroxyanilino)acetic acid
CID 70465187
4-[2-[4-(4-hydroxyphenyl)-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenol
CID 136661911
N-phenylaniline;2-pyridin-2-ylpyridine
CID 175252376
methyl 4-[[2-(pentylamino)-6-phenylpyrimidin-4-yl]amino]benzoate
CID 112937969

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-hydroxyanilino)-6-pyridin-2-ylpyrimidin-2-yl]amino]acetic acid?
The IUPAC name of 2-[[4-(4-hydroxyanilino)-6-pyridin-2-ylpyrimidin-2-yl]amino]acetic acid (CID 137061757) is 2-[[4-(4-hydroxyanilino)-6-pyridin-2-ylpyrimidin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(4-hydroxyanilino)-6-pyridin-2-ylpyrimidin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[4-(4-hydroxyanilino)-6-pyridin-2-ylpyrimidin-2-yl]amino]acetic acid is O=C(O)CNc1nc(Nc2ccc(O)cc2)cc(-c2ccccn2)n1.
What is the InChIKey of 2-[[4-(4-hydroxyanilino)-6-pyridin-2-ylpyrimidin-2-yl]amino]acetic acid?
The InChIKey is ZXKNUMOXFNKRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c23-12-6-4-11(5-7-12)20-15-9-14(13-3-1-2-8-18-13)21-17(22-15)19-10-16(24)25/h1-9,23H,10H2,(H,24,25)(H2,19,20,21,22).
What are the key properties of 2-[[4-(4-hydroxyanilino)-6-pyridin-2-ylpyrimidin-2-yl]amino]acetic acid?
2-[[4-(4-hydroxyanilino)-6-pyridin-2-ylpyrimidin-2-yl]amino]acetic acid has a molecular weight of 337.34 g/mol, XLogP of 2.48, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-hydroxyanilino)-6-pyridin-2-ylpyrimidin-2-yl]amino]acetic acid is sourced from PubChem (CID 137061757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).