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

C19H16F2N4O2 — CID 109359004

IUPACN-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1cc(C(=O)Nc2ccc(F)c(F)c2)ncn1
InChIInChI=1S/C19H16F2N4O2/c1-2-27-17-6-4-3-5-15(17)25-18-10-16(22-11-23-18)19(26)24-12-7-8-13(20)14(21)9-12/h3-11H,2H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyLIQFKMYVKOPRFP-UHFFFAOYSA-N
MW370.36 g/mol
LogP4.15
Rot. Bonds6

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

N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109359004) has the molecular formula C19H16F2N4O2 and a molecular weight of 370.36 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
PubChem CID109359004
Molecular FormulaC19H16F2N4O2
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC NameN-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1cc(C(=O)Nc2ccc(F)c(F)c2)ncn1
InChIInChI=1S/C19H16F2N4O2/c1-2-27-17-6-4-3-5-15(17)25-18-10-16(22-11-23-18)19(26)24-12-7-8-13(20)14(21)9-12/h3-11H,2H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyLIQFKMYVKOPRFP-UHFFFAOYSA-N
XLogP4.15
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-ethoxyanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358001
N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyridazine-3-carboxamide
CID 109129455
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109358994
methyl 3-[[6-(2-ethoxyanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109358989
N-(3-cyanophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109358999
6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359090
N-(2-ethoxyphenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109356224
N-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358268
6-(2-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109359923
N-(3,4-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109269742
6-(2-ethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109350972
N-[2-(4-chlorophenyl)ethyl]-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109352394

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide (CID 109359004) is N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide is CCOc1ccccc1Nc1cc(C(=O)Nc2ccc(F)c(F)c2)ncn1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is LIQFKMYVKOPRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2/c1-2-27-17-6-4-3-5-15(17)25-18-10-16(22-11-23-18)19(26)24-12-7-8-13(20)14(21)9-12/h3-11H,2H2,1H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide?
N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 370.36 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109359004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).