6-(2-ethoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide

C19H26N4O2 — CID 112846855

IUPAC6-(2-ethoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(Nc2ccccc2OCC)nc(C)n1
InChIInChI=1S/C19H26N4O2/c1-4-6-9-12-20-19(24)16-13-18(22-14(3)21-16)23-15-10-7-8-11-17(15)25-5-2/h7-8,10-11,13H,4-6,9,12H2,1-3H3,(H,20,24)(H,21,22,23)
InChIKeyOPAXURIEVWRRLR-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.85
Rot. Bonds9

About 6-(2-ethoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide

6-(2-ethoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide (PubChem CID 112846855) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 6-(2-ethoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-ethoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
PubChem CID112846855
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name6-(2-ethoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(Nc2ccccc2OCC)nc(C)n1
InChIInChI=1S/C19H26N4O2/c1-4-6-9-12-20-19(24)16-13-18(22-14(3)21-16)23-15-10-7-8-11-17(15)25-5-2/h7-8,10-11,13H,4-6,9,12H2,1-3H3,(H,20,24)(H,21,22,23)
InChIKeyOPAXURIEVWRRLR-UHFFFAOYSA-N
XLogP3.85
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.85
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

6-(2-ethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360701
N-cyclohexyl-6-(2-ethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109364039
6-(2-ethoxyanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368678
6-(2-tert-butylanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846836
6-(2-ethoxyanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370912
6-(2-ethoxyanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371157
N-(3-methoxypropyl)-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide
CID 109365314
6-(4-fluoroanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846839
6-(2-bromo-4-methylanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846884
ethyl 2-[[2-methyl-6-(propylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109360363
6-(4-bromoanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846850
6-(2-chloroanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365257

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2-ethoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide (CID 112846855) is 6-(2-ethoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-ethoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-ethoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide is CCCCCNC(=O)c1cc(Nc2ccccc2OCC)nc(C)n1.
What is the InChIKey of 6-(2-ethoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide?
The InChIKey is OPAXURIEVWRRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-4-6-9-12-20-19(24)16-13-18(22-14(3)21-16)23-15-10-7-8-11-17(15)25-5-2/h7-8,10-11,13H,4-6,9,12H2,1-3H3,(H,20,24)(H,21,22,23).
What are the key properties of 6-(2-ethoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide?
6-(2-ethoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide is sourced from PubChem (CID 112846855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).