2-(3,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide

C21H22N4O — CID 109266763

IUPAC2-(3,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(Nc2ccc(C)c(C)c2)nc1)c1ccccc1
InChIInChI=1S/C21H22N4O/c1-4-25(19-8-6-5-7-9-19)20(26)17-13-22-21(23-14-17)24-18-11-10-15(2)16(3)12-18/h5-14H,4H2,1-3H3,(H,22,23,24)
InChIKeyCGRLRCCQCGTBLM-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.50
Rot. Bonds5

About 2-(3,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide

2-(3,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide (PubChem CID 109266763) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
PubChem CID109266763
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-(3,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(Nc2ccc(C)c(C)c2)nc1)c1ccccc1
InChIInChI=1S/C21H22N4O/c1-4-25(19-8-6-5-7-9-19)20(26)17-13-22-21(23-14-17)24-18-11-10-15(2)16(3)12-18/h5-14H,4H2,1-3H3,(H,22,23,24)
InChIKeyCGRLRCCQCGTBLM-UHFFFAOYSA-N
XLogP4.50
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109265869
2-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109267607
2-(3,5-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109267628
N-ethyl-2-methyl-N-phenylpyrimidine-5-carboxamide
CID 110857873
N-ethyl-2-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
CID 109255731
N-ethyl-2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide
CID 109267578
2-(2,4-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109267626
N-ethyl-2-(3-methylbutylamino)-N-phenylpyrimidine-5-carboxamide
CID 109263537
4-N-(3,4-dimethylphenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091876
2-(cyclopropylamino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109247558
2-(3,4-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyrimidine-5-carboxamide
CID 109261733
N-ethyl-5-(3-methylanilino)-N-phenylpyridine-3-carboxamide
CID 109241929

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-(3,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide (CID 109266763) is 2-(3,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(3,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide is CCN(C(=O)c1cnc(Nc2ccc(C)c(C)c2)nc1)c1ccccc1.
What is the InChIKey of 2-(3,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide?
The InChIKey is CGRLRCCQCGTBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-4-25(19-8-6-5-7-9-19)20(26)17-13-22-21(23-14-17)24-18-11-10-15(2)16(3)12-18/h5-14H,4H2,1-3H3,(H,22,23,24).
What are the key properties of 2-(3,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide?
2-(3,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 109266763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).