2-(2,4-difluoroanilino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide

C18H12F5N5O2 — CID 134556610

IUPAC2-(2,4-difluoroanilino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1cnccc1OCC(F)(F)F)c1ccnc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C18H12F5N5O2/c19-10-1-2-12(11(20)7-10)27-17-25-6-3-13(28-17)16(29)26-14-8-24-5-4-15(14)30-9-18(21,22)23/h1-8H,9H2,(H,26,29)(H,25,27,28)
InChIKeyHOYKXBUHJNGBAO-UHFFFAOYSA-N
MW425.32 g/mol
LogP4.09
Rot. Bonds6

About 2-(2,4-difluoroanilino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide

2-(2,4-difluoroanilino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide (PubChem CID 134556610) has the molecular formula C18H12F5N5O2 and a molecular weight of 425.32 g/mol. Its IUPAC name is 2-(2,4-difluoroanilino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluoroanilino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
PubChem CID134556610
Molecular FormulaC18H12F5N5O2
Molecular Weight425.32 g/mol
Exact Mass425.09
IUPAC Name2-(2,4-difluoroanilino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1cnccc1OCC(F)(F)F)c1ccnc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C18H12F5N5O2/c19-10-1-2-12(11(20)7-10)27-17-25-6-3-13(28-17)16(29)26-14-8-24-5-4-15(14)30-9-18(21,22)23/h1-8H,9H2,(H,26,29)(H,25,27,28)
InChIKeyHOYKXBUHJNGBAO-UHFFFAOYSA-N
XLogP4.09
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.32
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2,4-difluoroanilino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
CID 153405710
N-(2,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109317538
2-(2,4-difluoroanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide
CID 109317953
N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109317361
2-[1-(1-adamantyl)ethylamino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
CID 134556726
N-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109305603
N-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109318638
2-(2,4-difluoroanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109318014
2-anilino-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide
CID 134543214
N-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109315022
N-(2,4-difluorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109314880
N-[4-(diethylamino)phenyl]-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109318417

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoroanilino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(2,4-difluoroanilino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide (CID 134556610) is 2-(2,4-difluoroanilino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,4-difluoroanilino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,4-difluoroanilino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide is O=C(Nc1cnccc1OCC(F)(F)F)c1ccnc(Nc2ccc(F)cc2F)n1.
What is the InChIKey of 2-(2,4-difluoroanilino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
The InChIKey is HOYKXBUHJNGBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F5N5O2/c19-10-1-2-12(11(20)7-10)27-17-25-6-3-13(28-17)16(29)26-14-8-24-5-4-15(14)30-9-18(21,22)23/h1-8H,9H2,(H,26,29)(H,25,27,28).
What are the key properties of 2-(2,4-difluoroanilino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
2-(2,4-difluoroanilino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide has a molecular weight of 425.32 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoroanilino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 134556610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).