2-[4-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol

C19H18N4O2 — CID 136904721

IUPAC2-[4-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
SMILESC/C(=N/Nc1cc(C)nc(-c2ccccc2O)n1)c1ccccc1O
InChIInChI=1S/C19H18N4O2/c1-12-11-18(21-19(20-12)15-8-4-6-10-17(15)25)23-22-13(2)14-7-3-5-9-16(14)24/h3-11,24-25H,1-2H3,(H,20,21,23)/b22-13-
InChIKeyXJVPYGXUZHQAQH-XKZIYDEJSA-N
MW334.38 g/mol
LogP3.70
Rot. Bonds4

About 2-[4-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol

2-[4-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol (PubChem CID 136904721) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[4-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
PubChem CID136904721
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-[4-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
SMILESC/C(=N/Nc1cc(C)nc(-c2ccccc2O)n1)c1ccccc1O
InChIInChI=1S/C19H18N4O2/c1-12-11-18(21-19(20-12)15-8-4-6-10-17(15)25)23-22-13(2)14-7-3-5-9-16(14)24/h3-11,24-25H,1-2H3,(H,20,21,23)/b22-13-
InChIKeyXJVPYGXUZHQAQH-XKZIYDEJSA-N
XLogP3.70
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 3754664
2-[4-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 135472541
6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-phenylpyrimidin-4-amine
CID 5332898
4-[(Z)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol
CID 135854092
2-[4-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 135443069
2,4-dibromo-6-[4-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 3099399
2-[4-(3-chloroanilino)-6-methylpyrimidin-2-yl]phenol
CID 719251
2-[4-[(2E)-2-[(4-butoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 135472546
2-[(E)-N-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]-C-methylcarbonimidoyl]phenol
CID 135822013
2-[4-methyl-6-(3-pyrrol-1-ylpropylamino)pyrimidin-2-yl]phenol
CID 137293753
2-[(Z)-C-methyl-N-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]carbonimidoyl]phenol
CID 136836653
2-[4-methyl-6-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-2-yl]phenol
CID 136818910

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol?
The IUPAC name of 2-[4-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol (CID 136904721) is 2-[4-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[4-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol?
The canonical SMILES for 2-[4-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol is C/C(=N/Nc1cc(C)nc(-c2ccccc2O)n1)c1ccccc1O.
What is the InChIKey of 2-[4-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol?
The InChIKey is XJVPYGXUZHQAQH-XKZIYDEJSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-12-11-18(21-19(20-12)15-8-4-6-10-17(15)25)23-22-13(2)14-7-3-5-9-16(14)24/h3-11,24-25H,1-2H3,(H,20,21,23)/b22-13-.
What are the key properties of 2-[4-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol?
2-[4-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol has a molecular weight of 334.38 g/mol, XLogP of 3.70, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol is sourced from PubChem (CID 136904721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).