2-(2,5-dimethylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide

C21H22N4O2 — CID 109266635

IUPAC2-(2,5-dimethylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cnc(Nc2cc(C)ccc2C)nc1
InChIInChI=1S/C21H22N4O2/c1-4-27-19-8-6-5-7-17(19)24-20(26)16-12-22-21(23-13-16)25-18-11-14(2)9-10-15(18)3/h5-13H,4H2,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyOZIVXCYTDPTRJO-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.49
Rot. Bonds6

About 2-(2,5-dimethylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide

2-(2,5-dimethylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 109266635) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(2,5-dimethylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide
PubChem CID109266635
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-(2,5-dimethylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cnc(Nc2cc(C)ccc2C)nc1
InChIInChI=1S/C21H22N4O2/c1-4-27-19-8-6-5-7-17(19)24-20(26)16-12-22-21(23-13-16)25-18-11-14(2)9-10-15(18)3/h5-13H,4H2,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyOZIVXCYTDPTRJO-UHFFFAOYSA-N
XLogP4.49
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[2-(2,5-dimethylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109266672
2-(3-chloro-2-methylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109268970
ethyl 4-[[2-(2,5-dimethylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109266662
N-(2-cyanophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109269736
2-(2,5-dimethylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109266661
N-(3,4-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109269742
N-(2,5-dimethylphenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246763
6-(2-ethoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109164093
N-cycloheptyl-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109263129
N-(2,4-dimethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109266385
N-(2-ethoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109255149
5-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109242967

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2,5-dimethylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide (CID 109266635) is 2-(2,5-dimethylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,5-dimethylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,5-dimethylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide is CCOc1ccccc1NC(=O)c1cnc(Nc2cc(C)ccc2C)nc1.
What is the InChIKey of 2-(2,5-dimethylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is OZIVXCYTDPTRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-4-27-19-8-6-5-7-17(19)24-20(26)16-12-22-21(23-13-16)25-18-11-14(2)9-10-15(18)3/h5-13H,4H2,1-3H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-(2,5-dimethylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide?
2-(2,5-dimethylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109266635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).