N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyrimidine-5-carboxamide

C20H19ClN4O2 — CID 109257644

IUPACN-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
SMILESCCOc1ccccc1Nc1ncc(C(=O)NCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C20H19ClN4O2/c1-2-27-18-6-4-3-5-17(18)25-20-23-12-15(13-24-20)19(26)22-11-14-7-9-16(21)10-8-14/h3-10,12-13H,2,11H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyLUOHERVUPCWZLV-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.20
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyrimidine-5-carboxamide

N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyrimidine-5-carboxamide (PubChem CID 109257644) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
PubChem CID109257644
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
SMILESCCOc1ccccc1Nc1ncc(C(=O)NCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C20H19ClN4O2/c1-2-27-18-6-4-3-5-17(18)25-20-23-12-15(13-24-20)19(26)22-11-14-7-9-16(21)10-8-14/h3-10,12-13H,2,11H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyLUOHERVUPCWZLV-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-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyridine-4-carboxamide
CID 109170899
2-(2-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256148
2-(4-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257635
2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255380
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257576
N-benzyl-2-(5-chloro-2-methylanilino)pyrimidine-5-carboxamide
CID 109255301
N-(3,4-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109269742
N-benzyl-2-(2,5-dichloroanilino)pyrimidine-5-carboxamide
CID 109255356
N-[2-(4-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109261399
N-[(4-chlorophenyl)methyl]-N'-(2-ethoxyphenyl)propanediamide
CID 108946779
2-(5-chloro-2-methoxyanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256158
2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109257738

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyrimidine-5-carboxamide (CID 109257644) is N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyrimidine-5-carboxamide is CCOc1ccccc1Nc1ncc(C(=O)NCc2ccc(Cl)cc2)cn1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyrimidine-5-carboxamide?
The InChIKey is LUOHERVUPCWZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-2-27-18-6-4-3-5-17(18)25-20-23-12-15(13-24-20)19(26)22-11-14-7-9-16(21)10-8-14/h3-10,12-13H,2,11H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyrimidine-5-carboxamide?
N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyrimidine-5-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]-2-(2-ethoxyanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109257644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).