N-[(2-chlorophenyl)methyl]-2-(4-ethoxyanilino)pyrimidine-4-carboxamide

C20H19ClN4O2 — CID 109305909

IUPACN-[(2-chlorophenyl)methyl]-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
SMILESCCOc1ccc(Nc2nccc(C(=O)NCc3ccccc3Cl)n2)cc1
InChIInChI=1S/C20H19ClN4O2/c1-2-27-16-9-7-15(8-10-16)24-20-22-12-11-18(25-20)19(26)23-13-14-5-3-4-6-17(14)21/h3-12H,2,13H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyUWFSSUGWWMCOCL-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.20
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-2-(4-ethoxyanilino)pyrimidine-4-carboxamide

N-[(2-chlorophenyl)methyl]-2-(4-ethoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109305909) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(4-ethoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
PubChem CID109305909
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
SMILESCCOc1ccc(Nc2nccc(C(=O)NCc3ccccc3Cl)n2)cc1
InChIInChI=1S/C20H19ClN4O2/c1-2-27-16-9-7-15(8-10-16)24-20-22-12-11-18(25-20)19(26)23-13-14-5-3-4-6-17(14)21/h3-12H,2,13H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyUWFSSUGWWMCOCL-UHFFFAOYSA-N
XLogP4.20
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-2-carboxamide
CID 109189878
2-(4-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306303
2-(4-methoxyanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304126
N-(2-tert-butylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109316365
N-[(2-chlorophenyl)methyl]-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109305892
N-(3-chloro-4-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317293
2-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109305811
2-(2,6-diethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109316253
N-[(2-chlorophenyl)methyl]-2-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109305895
2-(3-chloro-4-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304118
N-[(2-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109156873
N-[(2-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109305856

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-ethoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-ethoxyanilino)pyrimidine-4-carboxamide (CID 109305909) is N-[(2-chlorophenyl)methyl]-2-(4-ethoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(4-ethoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(4-ethoxyanilino)pyrimidine-4-carboxamide is CCOc1ccc(Nc2nccc(C(=O)NCc3ccccc3Cl)n2)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(4-ethoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is UWFSSUGWWMCOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-2-27-16-9-7-15(8-10-16)24-20-22-12-11-18(25-20)19(26)23-13-14-5-3-4-6-17(14)21/h3-12H,2,13H2,1H3,(H,23,26)(H,22,24,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(4-ethoxyanilino)pyrimidine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-2-(4-ethoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(4-ethoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109305909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).