2-(2,4-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide

C19H16Cl2N4O — CID 109267626

IUPAC2-(2,4-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(Nc2ccc(Cl)cc2Cl)nc1)c1ccccc1
InChIInChI=1S/C19H16Cl2N4O/c1-2-25(15-6-4-3-5-7-15)18(26)13-11-22-19(23-12-13)24-17-9-8-14(20)10-16(17)21/h3-12H,2H2,1H3,(H,22,23,24)
InChIKeyLTHGKQRGFCVEND-UHFFFAOYSA-N
MW387.27 g/mol
LogP5.19
Rot. Bonds5

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

2-(2,4-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide (PubChem CID 109267626) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is 2-(2,4-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
PubChem CID109267626
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC Name2-(2,4-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(Nc2ccc(Cl)cc2Cl)nc1)c1ccccc1
InChIInChI=1S/C19H16Cl2N4O/c1-2-25(15-6-4-3-5-7-15)18(26)13-11-22-19(23-12-13)24-17-9-8-14(20)10-16(17)21/h3-12H,2H2,1H3,(H,22,23,24)
InChIKeyLTHGKQRGFCVEND-UHFFFAOYSA-N
XLogP5.19
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.27
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109267628
N-ethyl-2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide
CID 109267578
2-(3,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109266763
3-(2,4-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108991553
2-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109267607
2-(2,4-dichloroanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109267339
N-ethyl-2-methyl-N-phenylpyrimidine-5-carboxamide
CID 110857873
N-ethyl-2-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
CID 109255731
2-(2,4-dichloroanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255924
2-(cyclopropylamino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109247558
5-(4-chloro-2-methylanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109291721
N-benzyl-2-(4-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109256687

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-(2,4-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide (CID 109267626) is 2-(2,4-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,4-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,4-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide is CCN(C(=O)c1cnc(Nc2ccc(Cl)cc2Cl)nc1)c1ccccc1.
What is the InChIKey of 2-(2,4-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide?
The InChIKey is LTHGKQRGFCVEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c1-2-25(15-6-4-3-5-7-15)18(26)13-11-22-19(23-12-13)24-17-9-8-14(20)10-16(17)21/h3-12H,2H2,1H3,(H,22,23,24).
What are the key properties of 2-(2,4-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide?
2-(2,4-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide has a molecular weight of 387.27 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 109267626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).