N-(3,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide

C18H14F2N4O2 — CID 109269495

IUPACN-(3,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1ccccc1Nc1ncc(C(=O)Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C18H14F2N4O2/c1-26-16-5-3-2-4-15(16)24-18-21-9-11(10-22-18)17(25)23-12-6-7-13(19)14(20)8-12/h2-10H,1H3,(H,23,25)(H,21,22,24)
InChIKeyQCTNUSLCFIRRFG-UHFFFAOYSA-N
MW356.33 g/mol
LogP3.76
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide

N-(3,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide (PubChem CID 109269495) has the molecular formula C18H14F2N4O2 and a molecular weight of 356.33 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
PubChem CID109269495
Molecular FormulaC18H14F2N4O2
Molecular Weight356.33 g/mol
Exact Mass356.11
IUPAC NameN-(3,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1ccccc1Nc1ncc(C(=O)Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C18H14F2N4O2/c1-26-16-5-3-2-4-15(16)24-18-21-9-11(10-22-18)17(25)23-12-6-7-13(19)14(20)8-12/h2-10H,1H3,(H,23,25)(H,21,22,24)
InChIKeyQCTNUSLCFIRRFG-UHFFFAOYSA-N
XLogP3.76
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-5-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-(3,4-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109269742
N-(3-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109268715
2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 109268468
2-(4-chloroanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109268879
1-N-(3,4-difluorophenyl)-3-N-(2-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057618
N-(2-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109268603
N-(3,4-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109266715
2-(2,6-difluoroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109270748
N-(3,4-difluorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266524
2-(4-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268923
N-(3,4-difluorophenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109270508
N-(2,3-dimethylphenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109267159

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide (CID 109269495) is N-(3,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide is COc1ccccc1Nc1ncc(C(=O)Nc2ccc(F)c(F)c2)cn1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide?
The InChIKey is QCTNUSLCFIRRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2/c1-26-16-5-3-2-4-15(16)24-18-21-9-11(10-22-18)17(25)23-12-6-7-13(19)14(20)8-12/h2-10H,1H3,(H,23,25)(H,21,22,24).
What are the key properties of N-(3,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide?
N-(3,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide has a molecular weight of 356.33 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109269495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).