2-(2,3-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide

C19H16Cl2N4O — CID 109267049

IUPAC2-(2,3-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cnc(Nc2cccc(Cl)c2Cl)nc1
InChIInChI=1S/C19H16Cl2N4O/c1-11-5-3-6-12(2)17(11)25-18(26)13-9-22-19(23-10-13)24-15-8-4-7-14(20)16(15)21/h3-10H,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyZAIXZJMXUTZPLR-UHFFFAOYSA-N
MW387.27 g/mol
LogP5.40
Rot. Bonds4

About 2-(2,3-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide

2-(2,3-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide (PubChem CID 109267049) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is 2-(2,3-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,3-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
PubChem CID109267049
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC Name2-(2,3-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cnc(Nc2cccc(Cl)c2Cl)nc1
InChIInChI=1S/C19H16Cl2N4O/c1-11-5-3-6-12(2)17(11)25-18(26)13-9-22-19(23-10-13)24-15-8-4-7-14(20)16(15)21/h3-10H,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyZAIXZJMXUTZPLR-UHFFFAOYSA-N
XLogP5.40
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.27
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide
CID 74763642
N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109267415
N-(2,3-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268445
2-(3-chloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267000
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
N-(2-chlorophenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109268171
2-(2,6-dimethylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109267067
2-(2,4-difluoroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267042
N-(3-cyanophenyl)-2-(2,3-dichloroanilino)pyrimidine-5-carboxamide
CID 109270661
2-(2,5-dichloroanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267194
N-(2,6-dimethylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247161

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2,3-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide (CID 109267049) is 2-(2,3-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,3-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,3-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide is Cc1cccc(C)c1NC(=O)c1cnc(Nc2cccc(Cl)c2Cl)nc1.
What is the InChIKey of 2-(2,3-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide?
The InChIKey is ZAIXZJMXUTZPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c1-11-5-3-6-12(2)17(11)25-18(26)13-9-22-19(23-10-13)24-15-8-4-7-14(20)16(15)21/h3-10H,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of 2-(2,3-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide?
2-(2,3-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide has a molecular weight of 387.27 g/mol, XLogP of 5.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109267049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).