N'-(5-amino-6-anilinopyrimidin-4-yl)-2-phenylacetohydrazide

C18H18N6O — CID 19147712

IUPACN'-(5-amino-6-anilinopyrimidin-4-yl)-2-phenylacetohydrazide
SMILESNc1c(NNC(=O)Cc2ccccc2)ncnc1Nc1ccccc1
InChIInChI=1S/C18H18N6O/c19-16-17(22-14-9-5-2-6-10-14)20-12-21-18(16)24-23-15(25)11-13-7-3-1-4-8-13/h1-10,12H,11,19H2,(H,23,25)(H2,20,21,22,24)
InChIKeyXFVTVPRJOQSTBB-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.49
Rot. Bonds6

About N'-(5-amino-6-anilinopyrimidin-4-yl)-2-phenylacetohydrazide

N'-(5-amino-6-anilinopyrimidin-4-yl)-2-phenylacetohydrazide (PubChem CID 19147712) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is N'-(5-amino-6-anilinopyrimidin-4-yl)-2-phenylacetohydrazide.

Molecular Properties

Compound NameN'-(5-amino-6-anilinopyrimidin-4-yl)-2-phenylacetohydrazide
PubChem CID19147712
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC NameN'-(5-amino-6-anilinopyrimidin-4-yl)-2-phenylacetohydrazide
SMILESNc1c(NNC(=O)Cc2ccccc2)ncnc1Nc1ccccc1
InChIInChI=1S/C18H18N6O/c19-16-17(22-14-9-5-2-6-10-14)20-12-21-18(16)24-23-15(25)11-13-7-3-1-4-8-13/h1-10,12H,11,19H2,(H,23,25)(H2,20,21,22,24)
InChIKeyXFVTVPRJOQSTBB-UHFFFAOYSA-N
XLogP2.49
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(5,6-diaminopyrimidin-4-yl)-2-phenylacetohydrazide
CID 19137179
N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenylacetohydrazide
CID 22540106
N'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2-phenylacetohydrazide
CID 19147596
N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-phenylacetohydrazide
CID 19146756
N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide
CID 19152033
N'-[5-amino-6-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-phenylacetohydrazide
CID 19152277
N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22540107
N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22541037
N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151751
4-[[5-amino-6-(2-phenylhydrazinyl)pyrimidin-4-yl]amino]benzoic acid
CID 19144421
N'-[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]-2-phenylacetohydrazide
CID 19152290
N-[4-[[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 19150657

Frequently Asked Questions

What is the IUPAC name of N'-(5-amino-6-anilinopyrimidin-4-yl)-2-phenylacetohydrazide?
The IUPAC name of N'-(5-amino-6-anilinopyrimidin-4-yl)-2-phenylacetohydrazide (CID 19147712) is N'-(5-amino-6-anilinopyrimidin-4-yl)-2-phenylacetohydrazide.
What is the SMILES notation for N'-(5-amino-6-anilinopyrimidin-4-yl)-2-phenylacetohydrazide?
The canonical SMILES for N'-(5-amino-6-anilinopyrimidin-4-yl)-2-phenylacetohydrazide is Nc1c(NNC(=O)Cc2ccccc2)ncnc1Nc1ccccc1.
What is the InChIKey of N'-(5-amino-6-anilinopyrimidin-4-yl)-2-phenylacetohydrazide?
The InChIKey is XFVTVPRJOQSTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c19-16-17(22-14-9-5-2-6-10-14)20-12-21-18(16)24-23-15(25)11-13-7-3-1-4-8-13/h1-10,12H,11,19H2,(H,23,25)(H2,20,21,22,24).
What are the key properties of N'-(5-amino-6-anilinopyrimidin-4-yl)-2-phenylacetohydrazide?
N'-(5-amino-6-anilinopyrimidin-4-yl)-2-phenylacetohydrazide has a molecular weight of 334.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-amino-6-anilinopyrimidin-4-yl)-2-phenylacetohydrazide is sourced from PubChem (CID 19147712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).