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

C18H24N6O2 — CID 109301975

IUPAC2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(Nc2nccc(C(=O)NCCCN(C)C)n2)cc1
InChIInChI=1S/C18H24N6O2/c1-13(25)21-14-5-7-15(8-6-14)22-18-20-11-9-16(23-18)17(26)19-10-4-12-24(2)3/h5-9,11H,4,10,12H2,1-3H3,(H,19,26)(H,21,25)(H,20,22,23)
InChIKeyWLEWNTDICUMXME-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.86
Rot. Bonds8

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

2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide (PubChem CID 109301975) 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-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
PubChem CID109301975
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(Nc2nccc(C(=O)NCCCN(C)C)n2)cc1
InChIInChI=1S/C18H24N6O2/c1-13(25)21-14-5-7-15(8-6-14)22-18-20-11-9-16(23-18)17(26)19-10-4-12-24(2)3/h5-9,11H,4,10,12H2,1-3H3,(H,19,26)(H,21,25)(H,20,22,23)
InChIKeyWLEWNTDICUMXME-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-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109253432
N-[3-(dimethylamino)propyl]-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109301921
2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109301402
2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109168260
N-[4-[[2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 112887854
2-(4-acetamidoanilino)-N-benzylpyrimidine-4-carboxamide
CID 109303858
N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109301970
2-(2-bromoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
CID 109301990
2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313556
2-(4-methylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312095
2-(4-acetamidoanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109315753
2-(4-acetamidoanilino)-N-cyclopropylpyrimidine-4-carboxamide
CID 109295859

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide (CID 109301975) is 2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide is CC(=O)Nc1ccc(Nc2nccc(C(=O)NCCCN(C)C)n2)cc1.
What is the InChIKey of 2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide?
The InChIKey is WLEWNTDICUMXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-13(25)21-14-5-7-15(8-6-14)22-18-20-11-9-16(23-18)17(26)19-10-4-12-24(2)3/h5-9,11H,4,10,12H2,1-3H3,(H,19,26)(H,21,25)(H,20,22,23).
What are the key properties of 2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide?
2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-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-4-carboxamide is sourced from PubChem (CID 109301975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).