2-(4-ethoxyanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide

C21H22N4O3 — CID 109337457

IUPAC2-(4-ethoxyanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCOc1ccc(Nc2nc(C)cc(C(=O)Nc3ccccc3OC)n2)cc1
InChIInChI=1S/C21H22N4O3/c1-4-28-16-11-9-15(10-12-16)23-21-22-14(2)13-18(25-21)20(26)24-17-7-5-6-8-19(17)27-3/h5-13H,4H2,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyDGPYARDZBGUSAG-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.19
Rot. Bonds7

About 2-(4-ethoxyanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide

2-(4-ethoxyanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109337457) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109337457
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name2-(4-ethoxyanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCOc1ccc(Nc2nc(C)cc(C(=O)Nc3ccccc3OC)n2)cc1
InChIInChI=1S/C21H22N4O3/c1-4-28-16-11-9-15(10-12-16)23-21-22-14(2)13-18(25-21)20(26)24-17-7-5-6-8-19(17)27-3/h5-13H,4H2,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyDGPYARDZBGUSAG-UHFFFAOYSA-N
XLogP4.19
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethoxyanilino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336231
2-(4-tert-butylanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336694
2-(4-ethoxyanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109335167
N-(2-methoxyphenyl)-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109334921
N-(4-ethoxyphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336735
N-(2-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109336791
2-(2-methoxyanilino)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109337428
N-(5-chloro-2-methoxyphenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337413
2-(2-fluoroanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336731
2-(3-acetylanilino)-N-(2-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337630
N-benzyl-2-(4-ethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109327296
2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334565

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-ethoxyanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide (CID 109337457) is 2-(4-ethoxyanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide is CCOc1ccc(Nc2nc(C)cc(C(=O)Nc3ccccc3OC)n2)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is DGPYARDZBGUSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-4-28-16-11-9-15(10-12-16)23-21-22-14(2)13-18(25-21)20(26)24-17-7-5-6-8-19(17)27-3/h5-13H,4H2,1-3H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-(4-ethoxyanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
2-(4-ethoxyanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109337457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).