2-(3-chloroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide

C19H17ClN4O — CID 109259442

IUPAC2-(3-chloroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
SMILESO=C(NCCc1ccccc1)c1cnc(Nc2cccc(Cl)c2)nc1
InChIInChI=1S/C19H17ClN4O/c20-16-7-4-8-17(11-16)24-19-22-12-15(13-23-19)18(25)21-10-9-14-5-2-1-3-6-14/h1-8,11-13H,9-10H2,(H,21,25)(H,22,23,24)
InChIKeyIFUNWINCQUOHOS-UHFFFAOYSA-N
MW352.83 g/mol
LogP3.85
Rot. Bonds6

About 2-(3-chloroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide

2-(3-chloroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide (PubChem CID 109259442) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 2-(3-chloroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
PubChem CID109259442
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name2-(3-chloroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
SMILESO=C(NCCc1ccccc1)c1cnc(Nc2cccc(Cl)c2)nc1
InChIInChI=1S/C19H17ClN4O/c20-16-7-4-8-17(11-16)24-19-22-12-15(13-23-19)18(25)21-10-9-14-5-2-1-3-6-14/h1-8,11-13H,9-10H2,(H,21,25)(H,22,23,24)
InChIKeyIFUNWINCQUOHOS-UHFFFAOYSA-N
XLogP3.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloroanilino)-N-[2-(3-chlorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109264775
2-(3-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259417
N-[2-(3-chlorophenyl)ethyl]-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109264772
2-(3-acetamidoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259469
2-(3-chloro-4-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259447
N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109264764
N-[2-(3-chlorophenyl)ethyl]-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109264776
N-[2-(3-chlorophenyl)ethyl]-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256521
2-(3-chloroanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257438
2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268705
2-(3-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256149
N-[2-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
CID 109247539

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-chloroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide (CID 109259442) is 2-(3-chloroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-chloroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-chloroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide is O=C(NCCc1ccccc1)c1cnc(Nc2cccc(Cl)c2)nc1.
What is the InChIKey of 2-(3-chloroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide?
The InChIKey is IFUNWINCQUOHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c20-16-7-4-8-17(11-16)24-19-22-12-15(13-23-19)18(25)21-10-9-14-5-2-1-3-6-14/h1-8,11-13H,9-10H2,(H,21,25)(H,22,23,24).
What are the key properties of 2-(3-chloroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide?
2-(3-chloroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide has a molecular weight of 352.83 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109259442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).