N-(2,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide

C21H21FN4O3 — CID 109308438

IUPACN-(2,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(NCCc3ccc(F)cc3)n2)c(OC)c1
InChIInChI=1S/C21H21FN4O3/c1-28-16-7-8-17(19(13-16)29-2)25-20(27)18-10-12-24-21(26-18)23-11-9-14-3-5-15(22)6-4-14/h3-8,10,12-13H,9,11H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyWTFJVSKIEMUANZ-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.54
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide

N-(2,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide (PubChem CID 109308438) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
PubChem CID109308438
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(NCCc3ccc(F)cc3)n2)c(OC)c1
InChIInChI=1S/C21H21FN4O3/c1-28-16-7-8-17(19(13-16)29-2)25-20(27)18-10-12-24-21(26-18)23-11-9-14-3-5-15(22)6-4-14/h3-8,10,12-13H,9,11H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyWTFJVSKIEMUANZ-UHFFFAOYSA-N
XLogP3.54
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284563
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109309712
N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308419
N-(3,4-dimethylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308404
N-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306411
N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308462
2-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317564
N-(3-chloro-2-methylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308845
N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308723
N-cyclopentyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109298072
2-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109317827
2-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109305509

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide (CID 109308438) is N-(2,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2ccnc(NCCc3ccc(F)cc3)n2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide?
The InChIKey is WTFJVSKIEMUANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-28-16-7-8-17(19(13-16)29-2)25-20(27)18-10-12-24-21(26-18)23-11-9-14-3-5-15(22)6-4-14/h3-8,10,12-13H,9,11H2,1-2H3,(H,25,27)(H,23,24,26).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide?
N-(2,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109308438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).