N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyrimidine-4-carboxamide

C20H19ClN4O2 — CID 109348808

IUPACN-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
SMILESCCOc1ccc(Nc2cc(C(=O)NCc3ccc(Cl)cc3)ncn2)cc1
InChIInChI=1S/C20H19ClN4O2/c1-2-27-17-9-7-16(8-10-17)25-19-11-18(23-13-24-19)20(26)22-12-14-3-5-15(21)6-4-14/h3-11,13H,2,12H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyWGLZZHOUKQGCTE-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.20
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyrimidine-4-carboxamide

N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109348808) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
PubChem CID109348808
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
SMILESCCOc1ccc(Nc2cc(C(=O)NCc3ccc(Cl)cc3)ncn2)cc1
InChIInChI=1S/C20H19ClN4O2/c1-2-27-17-9-7-16(8-10-17)25-19-11-18(23-13-24-19)20(26)22-12-14-3-5-15(21)6-4-14/h3-11,13H,2,12H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyWGLZZHOUKQGCTE-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

6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347450
6-(3,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109349236
N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109157012
N-[(4-chlorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348753
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358931
6-(4-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347444
N-benzyl-6-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109346690
6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359090
6-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347455
N-[(4-methylphenyl)methyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109347466
N-[(4-chlorophenyl)methyl]-6-[(4-chlorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348666
N-[(4-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109234037

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyrimidine-4-carboxamide (CID 109348808) is N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyrimidine-4-carboxamide is CCOc1ccc(Nc2cc(C(=O)NCc3ccc(Cl)cc3)ncn2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is WGLZZHOUKQGCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-2-27-17-9-7-16(8-10-17)25-19-11-18(23-13-24-19)20(26)22-12-14-3-5-15(21)6-4-14/h3-11,13H,2,12H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyrimidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-6-(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-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109348808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).