N-[3-(diethylamino)propyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide

C20H29N5O — CID 108796560

IUPACN-[3-(diethylamino)propyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
SMILESCCN(CC)CCCNC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C20H29N5O/c1-5-25(6-2)13-7-12-21-19(26)17-8-10-18(11-9-17)24-20-22-15(3)14-16(4)23-20/h8-11,14H,5-7,12-13H2,1-4H3,(H,21,26)(H,22,23,24)
InChIKeyAZIAGZSASKRMKX-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.30
Rot. Bonds9

About N-[3-(diethylamino)propyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide

N-[3-(diethylamino)propyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide (PubChem CID 108796560) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
PubChem CID108796560
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC NameN-[3-(diethylamino)propyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
SMILESCCN(CC)CCCNC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C20H29N5O/c1-5-25(6-2)13-7-12-21-19(26)17-8-10-18(11-9-17)24-20-22-15(3)14-16(4)23-20/h8-11,14H,5-7,12-13H2,1-4H3,(H,21,26)(H,22,23,24)
InChIKeyAZIAGZSASKRMKX-UHFFFAOYSA-N
XLogP3.30
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796599
4-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]butanoic acid
CID 108796515
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 71708502
N-[3-(diethylamino)propyl]-4-methoxysulfanylbenzamide
CID 21151365
N-butyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 99780131
N-[5-(diethylamino)pentyl]-4-methylbenzamide
CID 110440389
2-[4-(dimethylamino)anilino]-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide
CID 109325671
4-carbamothioyl-N-[3-(diethylamino)propyl]benzamide
CID 24690011
N-[3-(diethylamino)propyl]-3,4-dihydroxybenzamide
CID 103956220
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-fluorophenyl)methyl]benzamide
CID 108807948
N-butyl-2-(3,4-dichloroanilino)-6-methylpyrimidine-4-carboxamide
CID 109320778

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
The IUPAC name of N-[3-(diethylamino)propyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide (CID 108796560) is N-[3-(diethylamino)propyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide is CCN(CC)CCCNC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1.
What is the InChIKey of N-[3-(diethylamino)propyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
The InChIKey is AZIAGZSASKRMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-5-25(6-2)13-7-12-21-19(26)17-8-10-18(11-9-17)24-20-22-15(3)14-16(4)23-20/h8-11,14H,5-7,12-13H2,1-4H3,(H,21,26)(H,22,23,24).
What are the key properties of N-[3-(diethylamino)propyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
N-[3-(diethylamino)propyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide has a molecular weight of 355.49 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide is sourced from PubChem (CID 108796560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).