N-[4-[[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]amino]phenyl]acetamide

C19H19N7O2 — CID 19150657

IUPACN-[4-[[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ncnc(NNC(=O)c3ccccc3)c2N)cc1
InChIInChI=1S/C19H19N7O2/c1-12(27)23-14-7-9-15(10-8-14)24-17-16(20)18(22-11-21-17)25-26-19(28)13-5-3-2-4-6-13/h2-11H,20H2,1H3,(H,23,27)(H,26,28)(H2,21,22,24,25)
InChIKeyXMNVCRKYXOLBHF-UHFFFAOYSA-N
MW377.41 g/mol
LogP2.52
Rot. Bonds6

About N-[4-[[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]amino]phenyl]acetamide

N-[4-[[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 19150657) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is N-[4-[[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID19150657
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC NameN-[4-[[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ncnc(NNC(=O)c3ccccc3)c2N)cc1
InChIInChI=1S/C19H19N7O2/c1-12(27)23-14-7-9-15(10-8-14)24-17-16(20)18(22-11-21-17)25-26-19(28)13-5-3-2-4-6-13/h2-11H,20H2,1H3,(H,23,27)(H,26,28)(H2,21,22,24,25)
InChIKeyXMNVCRKYXOLBHF-UHFFFAOYSA-N
XLogP2.52
TPSA134.06 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 52.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-(4-methylanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
CID 19148584
N'-(5,6-diaminopyrimidin-4-yl)benzohydrazide
CID 10466983
4-[[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]amino]benzoic acid
CID 19151801
N'-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151939
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]benzohydrazide
CID 19145181
N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
CID 22541016
N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]-4-bromobenzohydrazide
CID 19148906
N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19148800
N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22533609
N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19148917
N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19150633
N'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]benzohydrazide
CID 19145715

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]amino]phenyl]acetamide (CID 19150657) is N-[4-[[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2ncnc(NNC(=O)c3ccccc3)c2N)cc1.
What is the InChIKey of N-[4-[[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is XMNVCRKYXOLBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-12(27)23-14-7-9-15(10-8-14)24-17-16(20)18(22-11-21-17)25-26-19(28)13-5-3-2-4-6-13/h2-11H,20H2,1H3,(H,23,27)(H,26,28)(H2,21,22,24,25).
What are the key properties of N-[4-[[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]amino]phenyl]acetamide?
N-[4-[[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 377.41 g/mol, XLogP of 2.52, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 19150657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).