N-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide

C21H22N4O3 — CID 109267530

IUPACN-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide
SMILESCCc1ccc(Nc2ncc(C(=O)Nc3ccc(OC)c(OC)c3)cn2)cc1
InChIInChI=1S/C21H22N4O3/c1-4-14-5-7-16(8-6-14)25-21-22-12-15(13-23-21)20(26)24-17-9-10-18(27-2)19(11-17)28-3/h5-13H,4H2,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyWIEFPDKAZXBSKD-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.05
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide

N-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide (PubChem CID 109267530) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide
PubChem CID109267530
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide
SMILESCCc1ccc(Nc2ncc(C(=O)Nc3ccc(OC)c(OC)c3)cn2)cc1
InChIInChI=1S/C21H22N4O3/c1-4-14-5-7-16(8-6-14)25-21-22-12-15(13-23-21)20(26)24-17-9-10-18(27-2)19(11-17)28-3/h5-13H,4H2,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyWIEFPDKAZXBSKD-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloroanilino)-N-(3,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109268889
N-(3,4-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109267979
N-(3,5-dimethylphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109266838
2-(4-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265488
2-(4-acetylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide
CID 109267464
N-(4-cyanophenyl)-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide
CID 109269995
N-(3,4-dimethoxyphenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248760
N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109269304
2-(3,4-dimethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257218
N-(3,4-dimethoxyphenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 50826585
2-(4-ethylanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109267526
N-(4-ethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide
CID 109267473

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide (CID 109267530) is N-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide is CCc1ccc(Nc2ncc(C(=O)Nc3ccc(OC)c(OC)c3)cn2)cc1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide?
The InChIKey is WIEFPDKAZXBSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-4-14-5-7-16(8-6-14)25-21-22-12-15(13-23-21)20(26)24-17-9-10-18(27-2)19(11-17)28-3/h5-13H,4H2,1-3H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide?
N-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109267530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).