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

C21H22N4O2 — CID 109319229

IUPAC6-methyl-2-(2-phenoxyanilino)-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(C)nc(Nc2ccccc2Oc2ccccc2)n1
InChIInChI=1S/C21H22N4O2/c1-3-13-22-20(26)18-14-15(2)23-21(25-18)24-17-11-7-8-12-19(17)27-16-9-5-4-6-10-16/h4-12,14H,3,13H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeySYUDPKKOCGUQQI-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.46
Rot. Bonds7

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

6-methyl-2-(2-phenoxyanilino)-N-propylpyrimidine-4-carboxamide (PubChem CID 109319229) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-methyl-2-(2-phenoxyanilino)-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-(2-phenoxyanilino)-N-propylpyrimidine-4-carboxamide
PubChem CID109319229
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name6-methyl-2-(2-phenoxyanilino)-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(C)nc(Nc2ccccc2Oc2ccccc2)n1
InChIInChI=1S/C21H22N4O2/c1-3-13-22-20(26)18-14-15(2)23-21(25-18)24-17-11-7-8-12-19(17)27-16-9-5-4-6-10-16/h4-12,14H,3,13H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeySYUDPKKOCGUQQI-UHFFFAOYSA-N
XLogP4.46
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319157
N-[2-(dimethylamino)ethyl]-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109325125
6-methyl-2-(2-methylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109333426
2-(4-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319158
2-(2-methoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109320348
2-N-butyl-6-N-(2-phenoxyphenyl)pyridine-2,6-dicarboxamide
CID 109094361
2-(3,5-dichloroanilino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319236
2-(2-ethoxyanilino)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109329813
N-(3-methoxypropyl)-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide
CID 109365314
2-(2-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331067
N-tert-butyl-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109332780
ethyl 2-[[4-(2-methoxyethylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109323844

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-phenoxyanilino)-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-(2-phenoxyanilino)-N-propylpyrimidine-4-carboxamide (CID 109319229) is 6-methyl-2-(2-phenoxyanilino)-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-(2-phenoxyanilino)-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-(2-phenoxyanilino)-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1cc(C)nc(Nc2ccccc2Oc2ccccc2)n1.
What is the InChIKey of 6-methyl-2-(2-phenoxyanilino)-N-propylpyrimidine-4-carboxamide?
The InChIKey is SYUDPKKOCGUQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-3-13-22-20(26)18-14-15(2)23-21(25-18)24-17-11-7-8-12-19(17)27-16-9-5-4-6-10-16/h4-12,14H,3,13H2,1-2H3,(H,22,26)(H,23,24,25).
What are the key properties of 6-methyl-2-(2-phenoxyanilino)-N-propylpyrimidine-4-carboxamide?
6-methyl-2-(2-phenoxyanilino)-N-propylpyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-phenoxyanilino)-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 109319229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).