N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide

C19H16Cl2N4O — CID 109267415

IUPACN-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide
SMILESCCc1ccccc1Nc1ncc(C(=O)Nc2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C19H16Cl2N4O/c1-2-12-6-3-4-8-15(12)25-19-22-10-13(11-23-19)18(26)24-16-9-5-7-14(20)17(16)21/h3-11H,2H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyUDWCLCVYPNCFAS-UHFFFAOYSA-N
MW387.27 g/mol
LogP5.34
Rot. Bonds5

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

N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide (PubChem CID 109267415) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide
PubChem CID109267415
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC NameN-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide
SMILESCCc1ccccc1Nc1ncc(C(=O)Nc2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C19H16Cl2N4O/c1-2-12-6-3-4-8-15(12)25-19-22-10-13(11-23-19)18(26)24-16-9-5-7-14(20)17(16)21/h3-11H,2H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyUDWCLCVYPNCFAS-UHFFFAOYSA-N
XLogP5.34
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.27
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109267368
N-(2,3-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268445
N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315577
2-(2,4-dichloroanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109267339
2-(benzylamino)-N-(2,3-dichlorophenyl)pyrimidine-5-carboxamide
CID 109255517
N-(2,3-dichlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263849
2-(2,3-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267049
N-(2,3-dichlorophenyl)-2-(2,6-difluoroanilino)pyrimidine-5-carboxamide
CID 109270657
2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268651
2-(2,3-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide
CID 74763642
1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991483
2-(3-chloro-2-methylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109268970

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide (CID 109267415) is N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide is CCc1ccccc1Nc1ncc(C(=O)Nc2cccc(Cl)c2Cl)cn1.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide?
The InChIKey is UDWCLCVYPNCFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c1-2-12-6-3-4-8-15(12)25-19-22-10-13(11-23-19)18(26)24-16-9-5-7-14(20)17(16)21/h3-11H,2H2,1H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide?
N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide has a molecular weight of 387.27 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109267415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).