N'-(5,6-diaminopyrimidin-4-yl)-2-phenylacetohydrazide

C12H14N6O — CID 19137179

IUPACN'-(5,6-diaminopyrimidin-4-yl)-2-phenylacetohydrazide
SMILESNc1ncnc(NNC(=O)Cc2ccccc2)c1N
InChIInChI=1S/C12H14N6O/c13-10-11(14)15-7-16-12(10)18-17-9(19)6-8-4-2-1-3-5-8/h1-5,7H,6,13H2,(H,17,19)(H3,14,15,16,18)
InChIKeyYULWEKCMJSRAQT-UHFFFAOYSA-N
MW258.29 g/mol
LogP0.33
Rot. Bonds4

About N'-(5,6-diaminopyrimidin-4-yl)-2-phenylacetohydrazide

N'-(5,6-diaminopyrimidin-4-yl)-2-phenylacetohydrazide (PubChem CID 19137179) has the molecular formula C12H14N6O and a molecular weight of 258.29 g/mol. Its IUPAC name is N'-(5,6-diaminopyrimidin-4-yl)-2-phenylacetohydrazide.

Molecular Properties

Compound NameN'-(5,6-diaminopyrimidin-4-yl)-2-phenylacetohydrazide
PubChem CID19137179
Molecular FormulaC12H14N6O
Molecular Weight258.29 g/mol
Exact Mass258.12
IUPAC NameN'-(5,6-diaminopyrimidin-4-yl)-2-phenylacetohydrazide
SMILESNc1ncnc(NNC(=O)Cc2ccccc2)c1N
InChIInChI=1S/C12H14N6O/c13-10-11(14)15-7-16-12(10)18-17-9(19)6-8-4-2-1-3-5-8/h1-5,7H,6,13H2,(H,17,19)(H3,14,15,16,18)
InChIKeyYULWEKCMJSRAQT-UHFFFAOYSA-N
XLogP0.33
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 50.33
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-amino-6-anilinopyrimidin-4-yl)-2-phenylacetohydrazide
CID 19147712
N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide
CID 19152033
N'-(5,6-diaminopyrimidin-4-yl)benzohydrazide
CID 10466983
N'-[5-amino-6-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-phenylacetohydrazide
CID 19152277
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]-4-methoxybenzohydrazide
CID 19151751
N'-[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]-2-phenylacetohydrazide
CID 19152290
N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenylacetohydrazide
CID 22540106
N'-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-2-phenylacetohydrazide
CID 19147361
N'-(6-amino-5-nitropyrimidin-4-yl)-2-(4-nitrophenyl)acetohydrazide
CID 23489086
4-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19137069

Frequently Asked Questions

What is the IUPAC name of N'-(5,6-diaminopyrimidin-4-yl)-2-phenylacetohydrazide?
The IUPAC name of N'-(5,6-diaminopyrimidin-4-yl)-2-phenylacetohydrazide (CID 19137179) is N'-(5,6-diaminopyrimidin-4-yl)-2-phenylacetohydrazide.
What is the SMILES notation for N'-(5,6-diaminopyrimidin-4-yl)-2-phenylacetohydrazide?
The canonical SMILES for N'-(5,6-diaminopyrimidin-4-yl)-2-phenylacetohydrazide is Nc1ncnc(NNC(=O)Cc2ccccc2)c1N.
What is the InChIKey of N'-(5,6-diaminopyrimidin-4-yl)-2-phenylacetohydrazide?
The InChIKey is YULWEKCMJSRAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O/c13-10-11(14)15-7-16-12(10)18-17-9(19)6-8-4-2-1-3-5-8/h1-5,7H,6,13H2,(H,17,19)(H3,14,15,16,18).
What are the key properties of N'-(5,6-diaminopyrimidin-4-yl)-2-phenylacetohydrazide?
N'-(5,6-diaminopyrimidin-4-yl)-2-phenylacetohydrazide has a molecular weight of 258.29 g/mol, XLogP of 0.33, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5,6-diaminopyrimidin-4-yl)-2-phenylacetohydrazide is sourced from PubChem (CID 19137179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).