2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide

C18H24N6O2 — CID 109253432

IUPAC2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
SMILESCC(=O)Nc1ccc(Nc2ncc(C(=O)NCCCN(C)C)cn2)cc1
InChIInChI=1S/C18H24N6O2/c1-13(25)22-15-5-7-16(8-6-15)23-18-20-11-14(12-21-18)17(26)19-9-4-10-24(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,19,26)(H,22,25)(H,20,21,23)
InChIKeyHPZUOCKRODLVIX-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.86
Rot. Bonds8

About 2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide

2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide (PubChem CID 109253432) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
PubChem CID109253432
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
SMILESCC(=O)Nc1ccc(Nc2ncc(C(=O)NCCCN(C)C)cn2)cc1
InChIInChI=1S/C18H24N6O2/c1-13(25)22-15-5-7-16(8-6-15)23-18-20-11-14(12-21-18)17(26)19-9-4-10-24(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,19,26)(H,22,25)(H,20,21,23)
InChIKeyHPZUOCKRODLVIX-UHFFFAOYSA-N
XLogP1.86
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109253477
2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
CID 109301975
2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109168260
5-N-(4-acetamidophenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109104366
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109252856
N-[2-(dimethylamino)ethyl]-2-(4-ethoxyanilino)pyrimidine-5-carboxamide
CID 109252791
6-(4-acetylanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154486
2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252849
N-(4-acetylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253599
2-(4-acetamidoanilino)-N-benzylpyrimidine-5-carboxamide
CID 109255327
N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyridine-3-carboxamide
CID 109154437
2-(4-acetamidoanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265724

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide (CID 109253432) is 2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide is CC(=O)Nc1ccc(Nc2ncc(C(=O)NCCCN(C)C)cn2)cc1.
What is the InChIKey of 2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide?
The InChIKey is HPZUOCKRODLVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-13(25)22-15-5-7-16(8-6-15)23-18-20-11-14(12-21-18)17(26)19-9-4-10-24(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,19,26)(H,22,25)(H,20,21,23).
What are the key properties of 2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide?
2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.86, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109253432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).