2-anilino-N-[2-(3-chlorophenyl)ethyl]pyrimidine-4-carboxamide

C19H17ClN4O — CID 109313129

IUPAC2-anilino-N-[2-(3-chlorophenyl)ethyl]pyrimidine-4-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C19H17ClN4O/c20-15-6-4-5-14(13-15)9-11-21-18(25)17-10-12-22-19(24-17)23-16-7-2-1-3-8-16/h1-8,10,12-13H,9,11H2,(H,21,25)(H,22,23,24)
InChIKeyLXIWYHFQQCSUKL-UHFFFAOYSA-N
MW352.83 g/mol
LogP3.85
Rot. Bonds6

About 2-anilino-N-[2-(3-chlorophenyl)ethyl]pyrimidine-4-carboxamide

2-anilino-N-[2-(3-chlorophenyl)ethyl]pyrimidine-4-carboxamide (PubChem CID 109313129) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 2-anilino-N-[2-(3-chlorophenyl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-[2-(3-chlorophenyl)ethyl]pyrimidine-4-carboxamide
PubChem CID109313129
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name2-anilino-N-[2-(3-chlorophenyl)ethyl]pyrimidine-4-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C19H17ClN4O/c20-15-6-4-5-14(13-15)9-11-21-18(25)17-10-12-22-19(24-17)23-16-7-2-1-3-8-16/h1-8,10,12-13H,9,11H2,(H,21,25)(H,22,23,24)
InChIKeyLXIWYHFQQCSUKL-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

N-[2-(3-chlorophenyl)ethyl]-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109313131
2-(3-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109309818
N-[2-(3-chlorophenyl)ethyl]-2-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109313154
2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307965
2-(2,5-dichloroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307967
N-(2-phenylethyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109307912
N-[2-(3-chlorophenyl)ethyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311741
2-(butan-2-ylamino)-N-[2-(3-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109297162
2-anilino-N-benzylpyrimidine-4-carboxamide
CID 109303802
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-benzyl-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide
CID 109303884

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[2-(3-chlorophenyl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-anilino-N-[2-(3-chlorophenyl)ethyl]pyrimidine-4-carboxamide (CID 109313129) is 2-anilino-N-[2-(3-chlorophenyl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-anilino-N-[2-(3-chlorophenyl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-anilino-N-[2-(3-chlorophenyl)ethyl]pyrimidine-4-carboxamide is O=C(NCCc1cccc(Cl)c1)c1ccnc(Nc2ccccc2)n1.
What is the InChIKey of 2-anilino-N-[2-(3-chlorophenyl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is LXIWYHFQQCSUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c20-15-6-4-5-14(13-15)9-11-21-18(25)17-10-12-22-19(24-17)23-16-7-2-1-3-8-16/h1-8,10,12-13H,9,11H2,(H,21,25)(H,22,23,24).
What are the key properties of 2-anilino-N-[2-(3-chlorophenyl)ethyl]pyrimidine-4-carboxamide?
2-anilino-N-[2-(3-chlorophenyl)ethyl]pyrimidine-4-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-anilino-N-[2-(3-chlorophenyl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109313129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).