2-[4-[(2Z)-2-benzylidenehydrazinyl]-6-methylpyrimidin-2-yl]phenol

C18H16N4O — CID 135498026

IUPAC2-[4-[(2Z)-2-benzylidenehydrazinyl]-6-methylpyrimidin-2-yl]phenol
SMILESCc1cc(N/N=C\c2ccccc2)nc(-c2ccccc2O)n1
InChIInChI=1S/C18H16N4O/c1-13-11-17(22-19-12-14-7-3-2-4-8-14)21-18(20-13)15-9-5-6-10-16(15)23/h2-12,23H,1H3,(H,20,21,22)/b19-12-
InChIKeyXMUSWTOMQQMHNO-UNOMPAQXSA-N
MW304.35 g/mol
LogP3.60
Rot. Bonds4

About 2-[4-[(2Z)-2-benzylidenehydrazinyl]-6-methylpyrimidin-2-yl]phenol

2-[4-[(2Z)-2-benzylidenehydrazinyl]-6-methylpyrimidin-2-yl]phenol (PubChem CID 135498026) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[4-[(2Z)-2-benzylidenehydrazinyl]-6-methylpyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[(2Z)-2-benzylidenehydrazinyl]-6-methylpyrimidin-2-yl]phenol
PubChem CID135498026
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name2-[4-[(2Z)-2-benzylidenehydrazinyl]-6-methylpyrimidin-2-yl]phenol
SMILESCc1cc(N/N=C\c2ccccc2)nc(-c2ccccc2O)n1
InChIInChI=1S/C18H16N4O/c1-13-11-17(22-19-12-14-7-3-2-4-8-14)21-18(20-13)15-9-5-6-10-16(15)23/h2-12,23H,1H3,(H,20,21,22)/b19-12-
InChIKeyXMUSWTOMQQMHNO-UNOMPAQXSA-N
XLogP3.60
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-(Benzylamino)quinazolin-2-yl)phenol
CID 915456
2-(2-Amino-6-phenylpyrimidin-4-yl)phenol
CID 359838
2-[4-(4-Fluoro-phenylamino)-6-methyl-pyrimidin-2-yl]-phenol
CID 719248
4-((1E)-2-{[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]amino}-2-azavinyl)-2-me thylbenzene-1,3-diol
CID 135443092
2-[4-(2-Fluoro-phenylamino)-6-methyl-pyrimidin-2-yl]-phenol
CID 719253
6-[4-(1-phenylethylamino)-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone
CID 2884035
2-Hydroxy-5-methoxybenzaldehyde (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 135437629
1-(4-Hydroxyphenyl)ethanone (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 135458773
4-{(E)-[2-(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl}benzene-1,3-diol
CID 135536508
2-[(E)-{2-[6-methyl-2-(morpholin-4-yl)pyrimidin-3-ium-4-yl]hydrazinylidene}methyl]phenolate
CID 135549744
4-[(E)-{2-[6-methyl-2-(morpholin-4-yl)pyrimidin-4-yl]hydrazinylidene}methyl]benzene-1,3-diol
CID 135650528
4-(5-Allyl-6-methyl-2-phenyl-pyrimidin-4-ylamino)-phenol
CID 766801

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2Z)-2-benzylidenehydrazinyl]-6-methylpyrimidin-2-yl]phenol?
The IUPAC name of 2-[4-[(2Z)-2-benzylidenehydrazinyl]-6-methylpyrimidin-2-yl]phenol (CID 135498026) is 2-[4-[(2Z)-2-benzylidenehydrazinyl]-6-methylpyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[4-[(2Z)-2-benzylidenehydrazinyl]-6-methylpyrimidin-2-yl]phenol?
The canonical SMILES for 2-[4-[(2Z)-2-benzylidenehydrazinyl]-6-methylpyrimidin-2-yl]phenol is Cc1cc(N/N=C\c2ccccc2)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-[4-[(2Z)-2-benzylidenehydrazinyl]-6-methylpyrimidin-2-yl]phenol?
The InChIKey is XMUSWTOMQQMHNO-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H16N4O/c1-13-11-17(22-19-12-14-7-3-2-4-8-14)21-18(20-13)15-9-5-6-10-16(15)23/h2-12,23H,1H3,(H,20,21,22)/b19-12-.
What are the key properties of 2-[4-[(2Z)-2-benzylidenehydrazinyl]-6-methylpyrimidin-2-yl]phenol?
2-[4-[(2Z)-2-benzylidenehydrazinyl]-6-methylpyrimidin-2-yl]phenol has a molecular weight of 304.35 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2Z)-2-benzylidenehydrazinyl]-6-methylpyrimidin-2-yl]phenol is sourced from PubChem (CID 135498026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).