6-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide

C18H14F2N4O2 — CID 109358958

IUPAC6-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Nc3ccc(F)cc3F)ncn2)cc1
InChIInChI=1S/C18H14F2N4O2/c1-26-13-5-3-12(4-6-13)23-18(25)16-9-17(22-10-21-16)24-15-7-2-11(19)8-14(15)20/h2-10H,1H3,(H,23,25)(H,21,22,24)
InChIKeyYVYCMNVZGAQLHW-UHFFFAOYSA-N
MW356.33 g/mol
LogP3.76
Rot. Bonds5

About 6-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide

6-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109358958) has the molecular formula C18H14F2N4O2 and a molecular weight of 356.33 g/mol. Its IUPAC name is 6-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109358958
Molecular FormulaC18H14F2N4O2
Molecular Weight356.33 g/mol
Exact Mass356.11
IUPAC Name6-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Nc3ccc(F)cc3F)ncn2)cc1
InChIInChI=1S/C18H14F2N4O2/c1-26-13-5-3-12(4-6-13)23-18(25)16-9-17(22-10-21-16)24-15-7-2-11(19)8-14(15)20/h2-10H,1H3,(H,23,25)(H,21,22,24)
InChIKeyYVYCMNVZGAQLHW-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

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Related Compounds

6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358027
6-(2,4-difluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356328
6-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109357398
6-(2-methoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358693
6-(3,5-dichloroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358963
N-(3-chloro-4-fluorophenyl)-6-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109358556
N-(2,4-difluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109359110
N-(4-fluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109358003
6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109348330
N-(4-chloro-2-methylphenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109358468
2-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269621
N-(4-methoxyphenyl)-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109357562

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide (CID 109358958) is 6-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(Nc3ccc(F)cc3F)ncn2)cc1.
What is the InChIKey of 6-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is YVYCMNVZGAQLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2/c1-26-13-5-3-12(4-6-13)23-18(25)16-9-17(22-10-21-16)24-15-7-2-11(19)8-14(15)20/h2-10H,1H3,(H,23,25)(H,21,22,24).
What are the key properties of 6-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
6-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-4-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 6-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109358958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).