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

C20H19ClN4O — CID 109313131

IUPACN-[2-(3-chlorophenyl)ethyl]-2-(3-methylanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2nccc(C(=O)NCCc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C20H19ClN4O/c1-14-4-2-7-17(12-14)24-20-23-11-9-18(25-20)19(26)22-10-8-15-5-3-6-16(21)13-15/h2-7,9,11-13H,8,10H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyMCFJNOIYFVTKLF-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.15
Rot. Bonds6

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

N-[2-(3-chlorophenyl)ethyl]-2-(3-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109313131) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-(3-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-(3-methylanilino)pyrimidine-4-carboxamide
PubChem CID109313131
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-(3-methylanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2nccc(C(=O)NCCc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C20H19ClN4O/c1-14-4-2-7-17(12-14)24-20-23-11-9-18(25-20)19(26)22-10-8-15-5-3-6-16(21)13-15/h2-7,9,11-13H,8,10H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyMCFJNOIYFVTKLF-UHFFFAOYSA-N
XLogP4.15
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-N-[2-(3-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109313129
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
N-[3-(dimethylamino)propyl]-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109301921
N-[2-(4-chlorophenyl)ethyl]-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109304200
2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307965
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-(4-chloroanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313921
N-[2-(3-chlorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109218487
2-anilino-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313397
2-(3-chloro-4-methylanilino)-N-(3-chlorophenyl)pyrimidine-4-carboxamide
CID 109316874

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(3-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(3-methylanilino)pyrimidine-4-carboxamide (CID 109313131) is N-[2-(3-chlorophenyl)ethyl]-2-(3-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-(3-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-(3-methylanilino)pyrimidine-4-carboxamide is Cc1cccc(Nc2nccc(C(=O)NCCc3cccc(Cl)c3)n2)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-(3-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is MCFJNOIYFVTKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-14-4-2-7-17(12-14)24-20-23-11-9-18(25-20)19(26)22-10-8-15-5-3-6-16(21)13-15/h2-7,9,11-13H,8,10H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-(3-methylanilino)pyrimidine-4-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-2-(3-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.15, 6 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-(3-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109313131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).