N-(4-chloro-2-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-5-carboxamide

C20H19ClN4O2 — CID 109269080

IUPACN-(4-chloro-2-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-5-carboxamide
SMILESCCOc1ccc(Nc2ncc(C(=O)Nc3ccc(Cl)cc3C)cn2)cc1
InChIInChI=1S/C20H19ClN4O2/c1-3-27-17-7-5-16(6-8-17)24-20-22-11-14(12-23-20)19(26)25-18-9-4-15(21)10-13(18)2/h4-12H,3H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyFYALXTCGMUZLFA-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.83
Rot. Bonds6

About N-(4-chloro-2-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-5-carboxamide

N-(4-chloro-2-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-5-carboxamide (PubChem CID 109269080) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-5-carboxamide
PubChem CID109269080
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-5-carboxamide
SMILESCCOc1ccc(Nc2ncc(C(=O)Nc3ccc(Cl)cc3C)cn2)cc1
InChIInChI=1S/C20H19ClN4O2/c1-3-27-17-7-5-16(6-8-17)24-20-22-11-14(12-23-20)19(26)25-18-9-4-15(21)10-13(18)2/h4-12H,3H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyFYALXTCGMUZLFA-UHFFFAOYSA-N
XLogP4.83
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-2-methylanilino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109269044
N-(4-chloro-2-methylphenyl)-2-[4-(dimethylamino)anilino]pyrimidine-5-carboxamide
CID 109269094
2-(3-chloro-4-fluoroanilino)-N-(4-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109269075
N-(4-chloro-2-methylphenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265407
N-(5-chloro-2-methylphenyl)-5-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109244724
2-(4-chloroanilino)-N-(2,4-dichlorophenyl)pyrimidine-5-carboxamide
CID 109268911
N-(4-chloro-2-methylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268395
N-(4-chloro-2-methylphenyl)-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide
CID 109267225
2-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109263001
2-(2,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266433
ethyl 4-[[5-[(4-chlorophenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109268853
2-(3,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266432

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-5-carboxamide (CID 109269080) is N-(4-chloro-2-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-5-carboxamide is CCOc1ccc(Nc2ncc(C(=O)Nc3ccc(Cl)cc3C)cn2)cc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-5-carboxamide?
The InChIKey is FYALXTCGMUZLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-3-27-17-7-5-16(6-8-17)24-20-22-11-14(12-23-20)19(26)25-18-9-4-15(21)10-13(18)2/h4-12H,3H2,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-5-carboxamide?
N-(4-chloro-2-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-5-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109269080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).