N-[2-(4-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide

C21H21ClN4O — CID 109261399

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide
SMILESCCc1ccccc1Nc1ncc(C(=O)NCCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C21H21ClN4O/c1-2-16-5-3-4-6-19(16)26-21-24-13-17(14-25-21)20(27)23-12-11-15-7-9-18(22)10-8-15/h3-10,13-14H,2,11-12H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyBTIMWDSTKTZOBY-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.41
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide

N-[2-(4-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide (PubChem CID 109261399) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide
PubChem CID109261399
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide
SMILESCCc1ccccc1Nc1ncc(C(=O)NCCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C21H21ClN4O/c1-2-16-5-3-4-6-19(16)26-21-24-13-17(14-25-21)20(27)23-12-11-15-7-9-18(22)10-8-15/h3-10,13-14H,2,11-12H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyBTIMWDSTKTZOBY-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-(3-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109264764
2-(2-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109261408
N-[2-(4-chlorophenyl)ethyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109261403
N-[2-(4-chlorophenyl)ethyl]-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255694
N-[2-(4-chlorophenyl)ethyl]-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257024
2-(2-fluoroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259439
2-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide
CID 109246522
2-(4-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109260068
N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109257644
2-(2,4-dichloroanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109267339
N-[2-(3-chlorophenyl)ethyl]-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109264776
2-[2-(4-chlorophenyl)ethylamino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109261462

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide (CID 109261399) is N-[2-(4-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide is CCc1ccccc1Nc1ncc(C(=O)NCCc2ccc(Cl)cc2)cn1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide?
The InChIKey is BTIMWDSTKTZOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-2-16-5-3-4-6-19(16)26-21-24-13-17(14-25-21)20(27)23-12-11-15-7-9-18(22)10-8-15/h3-10,13-14H,2,11-12H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide?
N-[2-(4-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-(4-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109261399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).