2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide

C19H16Cl2N4O — CID 109307965

IUPAC2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccnc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C19H16Cl2N4O/c20-15-7-6-14(12-16(15)21)24-19-23-11-9-17(25-19)18(26)22-10-8-13-4-2-1-3-5-13/h1-7,9,11-12H,8,10H2,(H,22,26)(H,23,24,25)
InChIKeyFMSRRGWKGKCUFG-UHFFFAOYSA-N
MW387.27 g/mol
LogP4.50
Rot. Bonds6

About 2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide

2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109307965) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is 2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109307965
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC Name2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccnc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C19H16Cl2N4O/c20-15-7-6-14(12-16(15)21)24-19-23-11-9-17(25-19)18(26)22-10-8-13-4-2-1-3-5-13/h1-7,9,11-12H,8,10H2,(H,22,26)(H,23,24,25)
InChIKeyFMSRRGWKGKCUFG-UHFFFAOYSA-N
XLogP4.50
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide
CID 109303884
2-(2,5-dichloroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307967
2-anilino-N-[2-(3-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109313129
2-(3,4-dichloroanilino)-N-propylpyrimidine-4-carboxamide
CID 109295101
N-(2-phenylethyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109307912
2-(3-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109309818
2-(3,4-dichloroanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312180
N-[2-(3-chlorophenyl)ethyl]-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109313131
5-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283887
N-[2-(3-chlorophenyl)ethyl]-2-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109313154
N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide
CID 109316799
2-(3-chloro-4-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109308656

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide (CID 109307965) is 2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide is O=C(NCCc1ccccc1)c1ccnc(Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is FMSRRGWKGKCUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c20-15-7-6-14(12-16(15)21)24-19-23-11-9-17(25-19)18(26)22-10-8-13-4-2-1-3-5-13/h1-7,9,11-12H,8,10H2,(H,22,26)(H,23,24,25).
What are the key properties of 2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 387.27 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109307965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).