N-(2,5-dichlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide

C17H11Cl2FN4O — CID 109357976

IUPACN-(2,5-dichlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cc(Nc2ccc(F)cc2)ncn1
InChIInChI=1S/C17H11Cl2FN4O/c18-10-1-6-13(19)14(7-10)24-17(25)15-8-16(22-9-21-15)23-12-4-2-11(20)3-5-12/h1-9H,(H,24,25)(H,21,22,23)
InChIKeyNBYDZJBSOSDJFS-UHFFFAOYSA-N
MW377.21 g/mol
LogP4.92
Rot. Bonds4

About N-(2,5-dichlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide

N-(2,5-dichlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide (PubChem CID 109357976) has the molecular formula C17H11Cl2FN4O and a molecular weight of 377.21 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
PubChem CID109357976
Molecular FormulaC17H11Cl2FN4O
Molecular Weight377.21 g/mol
Exact Mass376.03
IUPAC NameN-(2,5-dichlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cc(Nc2ccc(F)cc2)ncn1
InChIInChI=1S/C17H11Cl2FN4O/c18-10-1-6-13(19)14(7-10)24-17(25)15-8-16(22-9-21-15)23-12-4-2-11(20)3-5-12/h1-9H,(H,24,25)(H,21,22,23)
InChIKeyNBYDZJBSOSDJFS-UHFFFAOYSA-N
XLogP4.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.21
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-fluoroanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109357987
N-(3-chlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357928
6-(2,5-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359682
6-(3-chloro-4-fluoroanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109358265
6-anilino-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109355773
N-(2,3-dimethylphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357205
6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358027
N-(2-tert-butylphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357752
6-(2,6-dichloroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358034
6-(4-ethylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109357328
N-(4-fluorophenyl)-6-[4-(methylcarbamoyl)anilino]pyrimidine-4-carboxamide
CID 46179432
6-(4-chloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356798

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide (CID 109357976) is N-(2,5-dichlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)c1cc(Nc2ccc(F)cc2)ncn1.
What is the InChIKey of N-(2,5-dichlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide?
The InChIKey is NBYDZJBSOSDJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2FN4O/c18-10-1-6-13(19)14(7-10)24-17(25)15-8-16(22-9-21-15)23-12-4-2-11(20)3-5-12/h1-9H,(H,24,25)(H,21,22,23).
What are the key properties of N-(2,5-dichlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide?
N-(2,5-dichlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide has a molecular weight of 377.21 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).