N'-[(2-hydroxyphenyl)methyl]pyrimidine-2-carbohydrazide

C12H12N4O2 — CID 10444498

IUPACN'-[(2-hydroxyphenyl)methyl]pyrimidine-2-carbohydrazide
SMILESO=C(NNCc1ccccc1O)c1ncccn1
InChIInChI=1S/C12H12N4O2/c17-10-5-2-1-4-9(10)8-15-16-12(18)11-13-6-3-7-14-11/h1-7,15,17H,8H2,(H,16,18)
InChIKeyIDNBZPYINJTBOX-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.62
Rot. Bonds4

About N'-[(2-hydroxyphenyl)methyl]pyrimidine-2-carbohydrazide

N'-[(2-hydroxyphenyl)methyl]pyrimidine-2-carbohydrazide (PubChem CID 10444498) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is N'-[(2-hydroxyphenyl)methyl]pyrimidine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(2-hydroxyphenyl)methyl]pyrimidine-2-carbohydrazide
PubChem CID10444498
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC NameN'-[(2-hydroxyphenyl)methyl]pyrimidine-2-carbohydrazide
SMILESO=C(NNCc1ccccc1O)c1ncccn1
InChIInChI=1S/C12H12N4O2/c17-10-5-2-1-4-9(10)8-15-16-12(18)11-13-6-3-7-14-11/h1-7,15,17H,8H2,(H,16,18)
InChIKeyIDNBZPYINJTBOX-UHFFFAOYSA-N
XLogP0.62
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-benzylpyridine-2-carbohydrazide;hydrobromide
CID 163533434
N-[(2-hydroxyphenyl)methyl]quinoline-8-carboxamide
CID 115598832
N'-[3-(2-hydroxyphenyl)propanoyl]pyridine-2-carbohydrazide
CID 27662045
N-[2-(2-hydroxyphenyl)ethyl]pyridine-2-carboxamide
CID 110672365
N-[(2-hydroxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 115598782
4-[(2-hydroxyphenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 114332705
2-(2-hydroxyphenyl)-N-(3-methyl-2-pyridinyl)acetamide
CID 60615989
N-[2-(carbamoylamino)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78994089
2-(2-hydroxyphenyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 78990806
N'-[(2-chlorophenyl)methyl]-4-phenoxypyridine-2-carbohydrazide
CID 141350540
3-(2-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 47141809
2-[[[(2-hydroxyphenyl)methylamino]methylamino]methyl]phenol
CID 59771868

Frequently Asked Questions

What is the IUPAC name of N'-[(2-hydroxyphenyl)methyl]pyrimidine-2-carbohydrazide?
The IUPAC name of N'-[(2-hydroxyphenyl)methyl]pyrimidine-2-carbohydrazide (CID 10444498) is N'-[(2-hydroxyphenyl)methyl]pyrimidine-2-carbohydrazide.
What is the SMILES notation for N'-[(2-hydroxyphenyl)methyl]pyrimidine-2-carbohydrazide?
The canonical SMILES for N'-[(2-hydroxyphenyl)methyl]pyrimidine-2-carbohydrazide is O=C(NNCc1ccccc1O)c1ncccn1.
What is the InChIKey of N'-[(2-hydroxyphenyl)methyl]pyrimidine-2-carbohydrazide?
The InChIKey is IDNBZPYINJTBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c17-10-5-2-1-4-9(10)8-15-16-12(18)11-13-6-3-7-14-11/h1-7,15,17H,8H2,(H,16,18).
What are the key properties of N'-[(2-hydroxyphenyl)methyl]pyrimidine-2-carbohydrazide?
N'-[(2-hydroxyphenyl)methyl]pyrimidine-2-carbohydrazide has a molecular weight of 244.25 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-hydroxyphenyl)methyl]pyrimidine-2-carbohydrazide is sourced from PubChem (CID 10444498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).