N-(3,4-difluorophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide

C20H18F2N4O — CID 109315964

IUPACN-(3,4-difluorophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1Nc1nccc(C(=O)Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C20H18F2N4O/c1-3-13-6-4-5-12(2)18(13)26-20-23-10-9-17(25-20)19(27)24-14-7-8-15(21)16(22)11-14/h4-11H,3H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyNWHYKZNIETVIFB-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.62
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide

N-(3,4-difluorophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109315964) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
PubChem CID109315964
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC NameN-(3,4-difluorophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1Nc1nccc(C(=O)Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C20H18F2N4O/c1-3-13-6-4-5-12(2)18(13)26-20-23-10-9-17(25-20)19(27)24-14-7-8-15(21)16(22)11-14/h4-11H,3H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyNWHYKZNIETVIFB-UHFFFAOYSA-N
XLogP4.62
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide
CID 109315452
methyl 4-[[2-(2-ethyl-6-methylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109315951
2-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109315987
N-(3,4-difluorophenyl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109315178
N-(2-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109315975
N-(4-acetylphenyl)-2-(2,6-diethylanilino)pyrimidine-4-carboxamide
CID 109316255
N-[4-(diethylamino)phenyl]-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109315291
2-(2,6-diethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109316253
2-(4-tert-butylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109316405
N-(3-chloro-4-fluorophenyl)-2-(2,6-difluoroanilino)pyrimidine-4-carboxamide
CID 109317368
2-(4-acetylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109318223
2-(benzylamino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109303743

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide (CID 109315964) is N-(3,4-difluorophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide is CCc1cccc(C)c1Nc1nccc(C(=O)Nc2ccc(F)c(F)c2)n1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is NWHYKZNIETVIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O/c1-3-13-6-4-5-12(2)18(13)26-20-23-10-9-17(25-20)19(27)24-14-7-8-15(21)16(22)11-14/h4-11H,3H2,1-2H3,(H,24,27)(H,23,25,26).
What are the key properties of N-(3,4-difluorophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide?
N-(3,4-difluorophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).