2-(2-chloroanilino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide

C19H18ClN5O — CID 109316733

IUPAC2-(2-chloroanilino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccnc(Nc3ccccc3Cl)n2)cc1
InChIInChI=1S/C19H18ClN5O/c1-25(2)14-9-7-13(8-10-14)22-18(26)17-11-12-21-19(24-17)23-16-6-4-3-5-15(16)20/h3-12H,1-2H3,(H,22,26)(H,21,23,24)
InChIKeySOAYRPZERCKTHB-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.19
Rot. Bonds5

About 2-(2-chloroanilino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide

2-(2-chloroanilino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide (PubChem CID 109316733) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide
PubChem CID109316733
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name2-(2-chloroanilino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccnc(Nc3ccccc3Cl)n2)cc1
InChIInChI=1S/C19H18ClN5O/c1-25(2)14-9-7-13(8-10-14)22-18(26)17-11-12-21-19(24-17)23-16-6-4-3-5-15(16)20/h3-12H,1-2H3,(H,22,26)(H,21,23,24)
InChIKeySOAYRPZERCKTHB-UHFFFAOYSA-N
XLogP4.19
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-tert-butylphenyl)-2-(2-chloroanilino)pyrimidine-4-carboxamide
CID 109316409
N-(3-chloro-2-methylphenyl)-2-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109317094
2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314145
2-(2-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109315594
N-(2-tert-butylphenyl)-2-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109316369
2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109316704
2-(3-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109316980
2-(2-chloroanilino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 109316502
N-(2-chlorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109316775
N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide
CID 109316799
N-(4-chlorophenyl)-2-(2,4-dichloroanilino)pyrimidine-4-carboxamide
CID 109317020
N-(2-chlorophenyl)-2-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109316435

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-chloroanilino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide (CID 109316733) is 2-(2-chloroanilino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-chloroanilino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide is CN(C)c1ccc(NC(=O)c2ccnc(Nc3ccccc3Cl)n2)cc1.
What is the InChIKey of 2-(2-chloroanilino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide?
The InChIKey is SOAYRPZERCKTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-25(2)14-9-7-13(8-10-14)22-18(26)17-11-12-21-19(24-17)23-16-6-4-3-5-15(16)20/h3-12H,1-2H3,(H,22,26)(H,21,23,24).
What are the key properties of 2-(2-chloroanilino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide?
2-(2-chloroanilino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109316733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).