2-(3,5-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide

C19H16Cl2N4O — CID 109267628

IUPAC2-(3,5-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1)c1ccccc1
InChIInChI=1S/C19H16Cl2N4O/c1-2-25(17-6-4-3-5-7-17)18(26)13-11-22-19(23-12-13)24-16-9-14(20)8-15(21)10-16/h3-12H,2H2,1H3,(H,22,23,24)
InChIKeyZXCOMGKPPRLIFK-UHFFFAOYSA-N
MW387.27 g/mol
LogP5.19
Rot. Bonds5

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

2-(3,5-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide (PubChem CID 109267628) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is 2-(3,5-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3,5-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
PubChem CID109267628
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC Name2-(3,5-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1)c1ccccc1
InChIInChI=1S/C19H16Cl2N4O/c1-2-25(17-6-4-3-5-7-17)18(26)13-11-22-19(23-12-13)24-16-9-14(20)8-15(21)10-16/h3-12H,2H2,1H3,(H,22,23,24)
InChIKeyZXCOMGKPPRLIFK-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-(2,4-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109267626
2-(3,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109266763
2-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109267607
2-(3,5-dichloroanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262446
N-ethyl-2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide
CID 109267578
N-ethyl-2-methyl-N-phenylpyrimidine-5-carboxamide
CID 110857873
2-(cyclopropylamino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109247558
5-(3-chloroanilino)-N-ethyl-N-phenylpyridine-3-carboxamide
CID 109243553
N-ethyl-2-(3-methylbutylamino)-N-phenylpyrimidine-5-carboxamide
CID 109263537
N-ethyl-2-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
CID 109255731
2-(3,5-dichloroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258652
6-(4-ethoxyanilino)-N-ethyl-N-phenylpyridine-3-carboxamide
CID 109162941

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-(3,5-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide (CID 109267628) is 2-(3,5-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3,5-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(3,5-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide is CCN(C(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1)c1ccccc1.
What is the InChIKey of 2-(3,5-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide?
The InChIKey is ZXCOMGKPPRLIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c1-2-25(17-6-4-3-5-7-17)18(26)13-11-22-19(23-12-13)24-16-9-14(20)8-15(21)10-16/h3-12H,2H2,1H3,(H,22,23,24).
What are the key properties of 2-(3,5-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide?
2-(3,5-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-(3,5-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 109267628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).