6-(2,3-dimethylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide

C17H22N4O — CID 109360277

IUPAC6-(2,3-dimethylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(Nc2cccc(C)c2C)nc(C)n1
InChIInChI=1S/C17H22N4O/c1-5-9-18-17(22)15-10-16(20-13(4)19-15)21-14-8-6-7-11(2)12(14)3/h6-8,10H,5,9H2,1-4H3,(H,18,22)(H,19,20,21)
InChIKeyYLXWLJCIVXXYIM-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.29
Rot. Bonds5

About 6-(2,3-dimethylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide

6-(2,3-dimethylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide (PubChem CID 109360277) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-(2,3-dimethylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,3-dimethylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide
PubChem CID109360277
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name6-(2,3-dimethylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(Nc2cccc(C)c2C)nc(C)n1
InChIInChI=1S/C17H22N4O/c1-5-9-18-17(22)15-10-16(20-13(4)19-15)21-14-8-6-7-11(2)12(14)3/h6-8,10H,5,9H2,1-4H3,(H,18,22)(H,19,20,21)
InChIKeyYLXWLJCIVXXYIM-UHFFFAOYSA-N
XLogP3.29
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,3-dimethylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369893
6-(4-chloro-2-methylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360296
ethyl 2-[[2-methyl-6-(propylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109360363
N-butyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109361834
N-(2,3-dimethylphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846721
2-methyl-6-(2-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109373582
6-(3-cyanoanilino)-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360365
N-(4-acetylphenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849254
6-(3-chloro-2-methylanilino)-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4-carboxamide
CID 109366792
[6-(2,3-dimethylanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367363
methyl 2-[[6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 112849257
N-(4-cyanophenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849269

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2,3-dimethylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide (CID 109360277) is 6-(2,3-dimethylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,3-dimethylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,3-dimethylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1cc(Nc2cccc(C)c2C)nc(C)n1.
What is the InChIKey of 6-(2,3-dimethylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide?
The InChIKey is YLXWLJCIVXXYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-5-9-18-17(22)15-10-16(20-13(4)19-15)21-14-8-6-7-11(2)12(14)3/h6-8,10H,5,9H2,1-4H3,(H,18,22)(H,19,20,21).
What are the key properties of 6-(2,3-dimethylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide?
6-(2,3-dimethylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 109360277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).