6-(3,4-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide

C18H14F2N4O — CID 109356045

IUPAC6-(3,4-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(Nc2ccc(F)c(F)c2)ncn1
InChIInChI=1S/C18H14F2N4O/c1-11-4-2-3-5-15(11)24-18(25)16-9-17(22-10-21-16)23-12-6-7-13(19)14(20)8-12/h2-10H,1H3,(H,24,25)(H,21,22,23)
InChIKeyRTHIFHOEDPYCBF-UHFFFAOYSA-N
MW340.33 g/mol
LogP4.06
Rot. Bonds4

About 6-(3,4-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide

6-(3,4-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109356045) has the molecular formula C18H14F2N4O and a molecular weight of 340.33 g/mol. Its IUPAC name is 6-(3,4-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,4-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109356045
Molecular FormulaC18H14F2N4O
Molecular Weight340.33 g/mol
Exact Mass340.11
IUPAC Name6-(3,4-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(Nc2ccc(F)c(F)c2)ncn1
InChIInChI=1S/C18H14F2N4O/c1-11-4-2-3-5-15(11)24-18(25)16-9-17(22-10-21-16)23-12-6-7-13(19)14(20)8-12/h2-10H,1H3,(H,24,25)(H,21,22,23)
InChIKeyRTHIFHOEDPYCBF-UHFFFAOYSA-N
XLogP4.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-difluoroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356996
N-(3,4-difluorophenyl)-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109356120
N-(3,4-difluorophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109356791
N-(2,3-dimethylphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357205
6-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109358177
6-(2,4-dimethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109355977
N-(2,3-dimethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109357229
6-(4-chloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356798
N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109359004
N-(2-methylphenyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109356024
6-(2-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109359923
6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359090

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3,4-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide (CID 109356045) is 6-(3,4-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,4-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,4-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide is Cc1ccccc1NC(=O)c1cc(Nc2ccc(F)c(F)c2)ncn1.
What is the InChIKey of 6-(3,4-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is RTHIFHOEDPYCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O/c1-11-4-2-3-5-15(11)24-18(25)16-9-17(22-10-21-16)23-12-6-7-13(19)14(20)8-12/h2-10H,1H3,(H,24,25)(H,21,22,23).
What are the key properties of 6-(3,4-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide?
6-(3,4-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 340.33 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109356045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).