N-(6-aminohexyl)-3-[(6-aminopyrimidin-4-yl)amino]benzamide

C17H24N6O — CID 87330668

IUPACN-(6-aminohexyl)-3-[(6-aminopyrimidin-4-yl)amino]benzamide
SMILESNCCCCCCNC(=O)c1cccc(Nc2cc(N)ncn2)c1
InChIInChI=1S/C17H24N6O/c18-8-3-1-2-4-9-20-17(24)13-6-5-7-14(10-13)23-16-11-15(19)21-12-22-16/h5-7,10-12H,1-4,8-9,18H2,(H,20,24)(H3,19,21,22,23)
InChIKeyJHWJNTFZTJCMIL-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.05
Rot. Bonds9

About N-(6-aminohexyl)-3-[(6-aminopyrimidin-4-yl)amino]benzamide

N-(6-aminohexyl)-3-[(6-aminopyrimidin-4-yl)amino]benzamide (PubChem CID 87330668) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(6-aminohexyl)-3-[(6-aminopyrimidin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-3-[(6-aminopyrimidin-4-yl)amino]benzamide
PubChem CID87330668
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-(6-aminohexyl)-3-[(6-aminopyrimidin-4-yl)amino]benzamide
SMILESNCCCCCCNC(=O)c1cccc(Nc2cc(N)ncn2)c1
InChIInChI=1S/C17H24N6O/c18-8-3-1-2-4-9-20-17(24)13-6-5-7-14(10-13)23-16-11-15(19)21-12-22-16/h5-7,10-12H,1-4,8-9,18H2,(H,20,24)(H3,19,21,22,23)
InChIKeyJHWJNTFZTJCMIL-UHFFFAOYSA-N
XLogP2.05
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(8-aminooctyl)-3-bromobenzamide
CID 54790956
N-(6-aminohexyl)-3-(tert-butylamino)benzamide
CID 67566948
6-(3-acetylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109354575
3-acetamido-N-(3-aminopropyl)benzamide
CID 82335696
3-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-(3-methoxypropyl)benzamide
CID 50783694
methyl 3-[[6-(butylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109340145
N-(6-aminohexyl)-1,3-benzoxazole-5-carboxamide
CID 108795126
N-(4-aminobutyl)-3H-benzimidazole-5-carboxamide;hydrochloride
CID 162475318
4-N-(3-bromophenyl)pyrimidine-4,6-diamine
CID 80760494
N-(3-morpholin-4-ylpropyl)-3-[(6-phenylpyrimidin-4-yl)amino]benzamide
CID 50783731
N-(3-hydroxypropyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]amino]benzamide
CID 164735182
N-[2-(diethylamino)ethyl]-3-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 50783608

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-3-[(6-aminopyrimidin-4-yl)amino]benzamide?
The IUPAC name of N-(6-aminohexyl)-3-[(6-aminopyrimidin-4-yl)amino]benzamide (CID 87330668) is N-(6-aminohexyl)-3-[(6-aminopyrimidin-4-yl)amino]benzamide.
What is the SMILES notation for N-(6-aminohexyl)-3-[(6-aminopyrimidin-4-yl)amino]benzamide?
The canonical SMILES for N-(6-aminohexyl)-3-[(6-aminopyrimidin-4-yl)amino]benzamide is NCCCCCCNC(=O)c1cccc(Nc2cc(N)ncn2)c1.
What is the InChIKey of N-(6-aminohexyl)-3-[(6-aminopyrimidin-4-yl)amino]benzamide?
The InChIKey is JHWJNTFZTJCMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c18-8-3-1-2-4-9-20-17(24)13-6-5-7-14(10-13)23-16-11-15(19)21-12-22-16/h5-7,10-12H,1-4,8-9,18H2,(H,20,24)(H3,19,21,22,23).
What are the key properties of N-(6-aminohexyl)-3-[(6-aminopyrimidin-4-yl)amino]benzamide?
N-(6-aminohexyl)-3-[(6-aminopyrimidin-4-yl)amino]benzamide has a molecular weight of 328.42 g/mol, XLogP of 2.05, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-3-[(6-aminopyrimidin-4-yl)amino]benzamide is sourced from PubChem (CID 87330668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).