2-(4-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide

C17H22N4O — CID 109319158

IUPAC2-(4-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(C)nc(Nc2ccc(CC)cc2)n1
InChIInChI=1S/C17H22N4O/c1-4-10-18-16(22)15-11-12(3)19-17(21-15)20-14-8-6-13(5-2)7-9-14/h6-9,11H,4-5,10H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyQLGKFZCKKCAAHN-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.23
Rot. Bonds6

About 2-(4-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide

2-(4-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide (PubChem CID 109319158) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(4-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide
PubChem CID109319158
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-(4-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(C)nc(Nc2ccc(CC)cc2)n1
InChIInChI=1S/C17H22N4O/c1-4-10-18-16(22)15-11-12(3)19-17(21-15)20-14-8-6-13(5-2)7-9-14/h6-9,11H,4-5,10H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyQLGKFZCKKCAAHN-UHFFFAOYSA-N
XLogP3.23
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333217
2-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328770
N-cyclopropyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109319937
2-(4-ethylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334637
2-(3,5-dichloroanilino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319236
N,N-diethyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332354
N-cycloheptyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332948
2-(4-ethylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109326989
2-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331159
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319223
2-(2-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319157
N-butyl-2-(4-ethylanilino)-N,6-dimethylpyrimidine-4-carboxamide
CID 109333659

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide (CID 109319158) is 2-(4-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1cc(C)nc(Nc2ccc(CC)cc2)n1.
What is the InChIKey of 2-(4-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide?
The InChIKey is QLGKFZCKKCAAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-4-10-18-16(22)15-11-12(3)19-17(21-15)20-14-8-6-13(5-2)7-9-14/h6-9,11H,4-5,10H2,1-3H3,(H,18,22)(H,19,20,21).
What are the key properties of 2-(4-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide?
2-(4-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 109319158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).