N'-(4,6-dimethylpyrimidin-2-yl)-2-hydroxybenzohydrazide

C13H14N4O2 — CID 780275

IUPACN'-(4,6-dimethylpyrimidin-2-yl)-2-hydroxybenzohydrazide
SMILESCc1cc(C)nc(NNC(=O)c2ccccc2O)n1
InChIInChI=1S/C13H14N4O2/c1-8-7-9(2)15-13(14-8)17-16-12(19)10-5-3-4-6-11(10)18/h3-7,18H,1-2H3,(H,16,19)(H,14,15,17)
InChIKeyCXZWQMLPAVCXGA-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.56
Rot. Bonds3

About N'-(4,6-dimethylpyrimidin-2-yl)-2-hydroxybenzohydrazide

N'-(4,6-dimethylpyrimidin-2-yl)-2-hydroxybenzohydrazide (PubChem CID 780275) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N'-(4,6-dimethylpyrimidin-2-yl)-2-hydroxybenzohydrazide.

Molecular Properties

Compound NameN'-(4,6-dimethylpyrimidin-2-yl)-2-hydroxybenzohydrazide
PubChem CID780275
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN'-(4,6-dimethylpyrimidin-2-yl)-2-hydroxybenzohydrazide
SMILESCc1cc(C)nc(NNC(=O)c2ccccc2O)n1
InChIInChI=1S/C13H14N4O2/c1-8-7-9(2)15-13(14-8)17-16-12(19)10-5-3-4-6-11(10)18/h3-7,18H,1-2H3,(H,16,19)(H,14,15,17)
InChIKeyCXZWQMLPAVCXGA-UHFFFAOYSA-N
XLogP1.56
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4,6-Dimethyl-2-pyrimidinyl)-3-methoxybenzohydrazide
CID 585625
2-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-4,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one
CID 664296
N-(4,6-dimethyl-2-pyrimidinyl)-2-methoxybenzamide
CID 966568
N-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}-2-hydroxybenzamide
CID 3829670
N-(4,6-dimethylpyrimidin-2-yl)-2-hydroxybenzamide
CID 4258109
N-(2,6-dimethylpyrimidin-4-yl)-2-hydroxybenzamide
CID 847922
N'-[2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-hydroxy-benzohydrazide
CID 3168362
5-[(4,6-Dimethylpyrimidin-2-yl)amino]-2-hydroxybenzoic acid
CID 1649278
N-(4,6-dimethyl-2-pyridinyl)-2-hydroxybenzamide
CID 13440640
2-(4-Hydrazinyl-6-methylpyrimidin-2-yl)phenol
CID 781256
N-(4,6-dimethylpyrimidin-2-yl)-2-hydroxy-4-methyl-benzamide
CID 6481017
5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-hydroxybenzamide
CID 28392993

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-2-hydroxybenzohydrazide?
The IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-2-hydroxybenzohydrazide (CID 780275) is N'-(4,6-dimethylpyrimidin-2-yl)-2-hydroxybenzohydrazide.
What is the SMILES notation for N'-(4,6-dimethylpyrimidin-2-yl)-2-hydroxybenzohydrazide?
The canonical SMILES for N'-(4,6-dimethylpyrimidin-2-yl)-2-hydroxybenzohydrazide is Cc1cc(C)nc(NNC(=O)c2ccccc2O)n1.
What is the InChIKey of N'-(4,6-dimethylpyrimidin-2-yl)-2-hydroxybenzohydrazide?
The InChIKey is CXZWQMLPAVCXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8-7-9(2)15-13(14-8)17-16-12(19)10-5-3-4-6-11(10)18/h3-7,18H,1-2H3,(H,16,19)(H,14,15,17).
What are the key properties of N'-(4,6-dimethylpyrimidin-2-yl)-2-hydroxybenzohydrazide?
N'-(4,6-dimethylpyrimidin-2-yl)-2-hydroxybenzohydrazide has a molecular weight of 258.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethylpyrimidin-2-yl)-2-hydroxybenzohydrazide is sourced from PubChem (CID 780275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).