N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide

C21H21ClN4O — CID 109264764

IUPACN-[2-(3-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide
SMILESCCc1ccccc1Nc1ncc(C(=O)NCCc2cccc(Cl)c2)cn1
InChIInChI=1S/C21H21ClN4O/c1-2-16-7-3-4-9-19(16)26-21-24-13-17(14-25-21)20(27)23-11-10-15-6-5-8-18(22)12-15/h3-9,12-14H,2,10-11H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyZTTVVMKWAZXNMB-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.41
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide

N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide (PubChem CID 109264764) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide
PubChem CID109264764
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide
SMILESCCc1ccccc1Nc1ncc(C(=O)NCCc2cccc(Cl)c2)cn1
InChIInChI=1S/C21H21ClN4O/c1-2-16-7-3-4-9-19(16)26-21-24-13-17(14-25-21)20(27)23-11-10-15-6-5-8-18(22)12-15/h3-9,12-14H,2,10-11H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyZTTVVMKWAZXNMB-UHFFFAOYSA-N
XLogP4.41
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109261399
N-[2-(3-chlorophenyl)ethyl]-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109264776
2-(3-chloroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259442
2-(4-chloroanilino)-N-[2-(3-chlorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109264775
N-[2-(3-chlorophenyl)ethyl]-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109264772
N-[2-(3-chlorophenyl)ethyl]-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256521
N-[2-(3-chlorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256254
N-[2-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
CID 109247539
2-(2-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109261408
N-[2-(3-chlorophenyl)ethyl]-N'-(2-ethylphenyl)propanediamide
CID 108952537
2-(2-fluoroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259439
2-(2,4-dichloroanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109267339

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide (CID 109264764) is N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide is CCc1ccccc1Nc1ncc(C(=O)NCCc2cccc(Cl)c2)cn1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide?
The InChIKey is ZTTVVMKWAZXNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-2-16-7-3-4-9-19(16)26-21-24-13-17(14-25-21)20(27)23-11-10-15-6-5-8-18(22)12-15/h3-9,12-14H,2,10-11H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109264764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).