N-(4-aminophenyl)-4-[(2,6-diaminopyrimidin-4-yl)amino]benzamide

C17H17N7O — CID 59457974

IUPACN-(4-aminophenyl)-4-[(2,6-diaminopyrimidin-4-yl)amino]benzamide
SMILESNc1ccc(NC(=O)c2ccc(Nc3cc(N)nc(N)n3)cc2)cc1
InChIInChI=1S/C17H17N7O/c18-11-3-7-13(8-4-11)22-16(25)10-1-5-12(6-2-10)21-15-9-14(19)23-17(20)24-15/h1-9H,18H2,(H,22,25)(H5,19,20,21,23,24)
InChIKeyHISODLNPCUFFFO-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.22
Rot. Bonds4

About N-(4-aminophenyl)-4-[(2,6-diaminopyrimidin-4-yl)amino]benzamide

N-(4-aminophenyl)-4-[(2,6-diaminopyrimidin-4-yl)amino]benzamide (PubChem CID 59457974) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-[(2,6-diaminopyrimidin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-[(2,6-diaminopyrimidin-4-yl)amino]benzamide
PubChem CID59457974
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC NameN-(4-aminophenyl)-4-[(2,6-diaminopyrimidin-4-yl)amino]benzamide
SMILESNc1ccc(NC(=O)c2ccc(Nc3cc(N)nc(N)n3)cc2)cc1
InChIInChI=1S/C17H17N7O/c18-11-3-7-13(8-4-11)22-16(25)10-1-5-12(6-2-10)21-15-9-14(19)23-17(20)24-15/h1-9H,18H2,(H,22,25)(H5,19,20,21,23,24)
InChIKeyHISODLNPCUFFFO-UHFFFAOYSA-N
XLogP2.22
TPSA144.97 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N,6-N-bis[4-(4-aminoanilino)phenyl]naphthalene-2,6-dicarboxamide
CID 141400871
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CID 67200918
4-[(2-amino-6-methylpyrimidin-4-yl)amino]-N-[4-[[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]carbamoyl]phenyl]benzamide diiodide
CID 24844585
4-amino-N-(4-aminophenyl)benzamide;ethanamine
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4-amino-N-[4-[3-amino-5-[4-[(4-aminobenzoyl)amino]phenyl]phenyl]phenyl]benzamide
CID 150367219
4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide
CID 129035701
4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide
CID 134597340
N-(4-aminophenyl)-4-(2-methylpropanoyl)benzamide;2-methylpropane
CID 144512975
4-(aminomethyl)-N-(4-aminophenyl)benzamide
CID 90103909
4-amino-N-(4-propan-2-yloxyphenyl)benzamide
CID 28722589
4-amino-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 155404523
N-(4-aminophenyl)-4-ethenylbenzamide
CID 13082944

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-[(2,6-diaminopyrimidin-4-yl)amino]benzamide?
The IUPAC name of N-(4-aminophenyl)-4-[(2,6-diaminopyrimidin-4-yl)amino]benzamide (CID 59457974) is N-(4-aminophenyl)-4-[(2,6-diaminopyrimidin-4-yl)amino]benzamide.
What is the SMILES notation for N-(4-aminophenyl)-4-[(2,6-diaminopyrimidin-4-yl)amino]benzamide?
The canonical SMILES for N-(4-aminophenyl)-4-[(2,6-diaminopyrimidin-4-yl)amino]benzamide is Nc1ccc(NC(=O)c2ccc(Nc3cc(N)nc(N)n3)cc2)cc1.
What is the InChIKey of N-(4-aminophenyl)-4-[(2,6-diaminopyrimidin-4-yl)amino]benzamide?
The InChIKey is HISODLNPCUFFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O/c18-11-3-7-13(8-4-11)22-16(25)10-1-5-12(6-2-10)21-15-9-14(19)23-17(20)24-15/h1-9H,18H2,(H,22,25)(H5,19,20,21,23,24).
What are the key properties of N-(4-aminophenyl)-4-[(2,6-diaminopyrimidin-4-yl)amino]benzamide?
N-(4-aminophenyl)-4-[(2,6-diaminopyrimidin-4-yl)amino]benzamide has a molecular weight of 335.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-[(2,6-diaminopyrimidin-4-yl)amino]benzamide is sourced from PubChem (CID 59457974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).