2-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide

C19H16F2N4O2 — CID 109257864

IUPAC2-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc(Nc2ccc(F)cc2F)nc1
InChIInChI=1S/C19H16F2N4O2/c1-27-17-5-3-2-4-12(17)9-22-18(26)13-10-23-19(24-11-13)25-16-7-6-14(20)8-15(16)21/h2-8,10-11H,9H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyROIWEJDADGFMQA-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.44
Rot. Bonds6

About 2-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide

2-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 109257864) has the molecular formula C19H16F2N4O2 and a molecular weight of 370.36 g/mol. Its IUPAC name is 2-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
PubChem CID109257864
Molecular FormulaC19H16F2N4O2
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name2-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc(Nc2ccc(F)cc2F)nc1
InChIInChI=1S/C19H16F2N4O2/c1-27-17-5-3-2-4-12(17)9-22-18(26)13-10-23-19(24-11-13)25-16-7-6-14(20)8-15(16)21/h2-8,10-11H,9H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyROIWEJDADGFMQA-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257829
N-[(2-methoxyphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109257821
2-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257842
2-(4-chloroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257832
N-[(2-fluorophenyl)methyl]-2-(2-methoxy-5-methylanilino)pyrimidine-5-carboxamide
CID 109256961
6-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120146
N-[(2-methoxyphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109257822
N-[(2-fluorophenyl)methyl]-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109256962
2-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269621
2-(2,4-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109270001
N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyrimidine-5-carboxamide
CID 109257453
N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 110466860

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide (CID 109257864) is 2-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide is COc1ccccc1CNC(=O)c1cnc(Nc2ccc(F)cc2F)nc1.
What is the InChIKey of 2-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is ROIWEJDADGFMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2/c1-27-17-5-3-2-4-12(17)9-22-18(26)13-10-23-19(24-11-13)25-16-7-6-14(20)8-15(16)21/h2-8,10-11H,9H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of 2-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide?
2-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 370.36 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109257864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).