2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methylpyrimidin-5-ol

C12H12N4O2 — CID 137309685

IUPAC2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methylpyrimidin-5-ol
SMILESCc1nc(N/N=C/c2ccc(O)cc2)ncc1O
InChIInChI=1S/C12H12N4O2/c1-8-11(18)7-13-12(15-8)16-14-6-9-2-4-10(17)5-3-9/h2-7,17-18H,1H3,(H,13,15,16)/b14-6+
InChIKeyXVDBZJVZKGBUNA-MKMNVTDBSA-N
MW244.25 g/mol
LogP1.64
Rot. Bonds3

About 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methylpyrimidin-5-ol

2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methylpyrimidin-5-ol (PubChem CID 137309685) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methylpyrimidin-5-ol.

Molecular Properties

Compound Name2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methylpyrimidin-5-ol
PubChem CID137309685
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methylpyrimidin-5-ol
SMILESCc1nc(N/N=C/c2ccc(O)cc2)ncc1O
InChIInChI=1S/C12H12N4O2/c1-8-11(18)7-13-12(15-8)16-14-6-9-2-4-10(17)5-3-9/h2-7,17-18H,1H3,(H,13,15,16)/b14-6+
InChIKeyXVDBZJVZKGBUNA-MKMNVTDBSA-N
XLogP1.64
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[[4,6-bis(4-methylphenyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol
CID 154071636
4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 135400458
4-[(E)-[[4-anilino-6-(methylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 135722691
4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 135510327
2-N,4-N-bis[(E)-(4-methylphenyl)methylideneamino]pyrimidine-2,4-diamine
CID 16736452
4-[(E)-[[2-amino-6-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 136932712
methyl 2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 136926687
N-[(E)-benzylideneamino]-4-methyl-1,3,5-triazin-2-amine
CID 121223490
4-[(Z)-[[5-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]hydrazinylidene]methyl]phenol
CID 135958634
4-[(Z)-[(6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol
CID 135446615
4-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]phenol
CID 135891453
4-[(E)-[[4-amino-5-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,2,4-triazol-3-yl]hydrazinylidene]methyl]phenol
CID 135838346

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methylpyrimidin-5-ol?
The IUPAC name of 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methylpyrimidin-5-ol (CID 137309685) is 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methylpyrimidin-5-ol.
What is the SMILES notation for 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methylpyrimidin-5-ol?
The canonical SMILES for 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methylpyrimidin-5-ol is Cc1nc(N/N=C/c2ccc(O)cc2)ncc1O.
What is the InChIKey of 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methylpyrimidin-5-ol?
The InChIKey is XVDBZJVZKGBUNA-MKMNVTDBSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-8-11(18)7-13-12(15-8)16-14-6-9-2-4-10(17)5-3-9/h2-7,17-18H,1H3,(H,13,15,16)/b14-6+.
What are the key properties of 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methylpyrimidin-5-ol?
2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methylpyrimidin-5-ol has a molecular weight of 244.25 g/mol, XLogP of 1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methylpyrimidin-5-ol is sourced from PubChem (CID 137309685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).