N-(3,4-difluorophenyl)-6-(3-methylanilino)pyrimidine-4-carboxamide

C18H14F2N4O — CID 109356120

IUPACN-(3,4-difluorophenyl)-6-(3-methylanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2cc(C(=O)Nc3ccc(F)c(F)c3)ncn2)c1
InChIInChI=1S/C18H14F2N4O/c1-11-3-2-4-12(7-11)23-17-9-16(21-10-22-17)18(25)24-13-5-6-14(19)15(20)8-13/h2-10H,1H3,(H,24,25)(H,21,22,23)
InChIKeyBHWISWPQBICCQR-UHFFFAOYSA-N
MW340.33 g/mol
LogP4.06
Rot. Bonds4

About N-(3,4-difluorophenyl)-6-(3-methylanilino)pyrimidine-4-carboxamide

N-(3,4-difluorophenyl)-6-(3-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109356120) has the molecular formula C18H14F2N4O and a molecular weight of 340.33 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-(3-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-(3-methylanilino)pyrimidine-4-carboxamide
PubChem CID109356120
Molecular FormulaC18H14F2N4O
Molecular Weight340.33 g/mol
Exact Mass340.11
IUPAC NameN-(3,4-difluorophenyl)-6-(3-methylanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2cc(C(=O)Nc3ccc(F)c(F)c3)ncn2)c1
InChIInChI=1S/C18H14F2N4O/c1-11-3-2-4-12(7-11)23-17-9-16(21-10-22-17)18(25)24-13-5-6-14(19)15(20)8-13/h2-10H,1H3,(H,24,25)(H,21,22,23)
InChIKeyBHWISWPQBICCQR-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-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109358177
6-(3,4-difluoroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356996
6-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355798
N-(3,4-difluorophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109356791
6-(3,4-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109356045
2-N-(3,4-difluorophenyl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091189
6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359090
N-(3-methylphenyl)-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109356172
N-(3-chlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357928
6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355799
6-(3,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355806
6-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359680

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-(3-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-(3-methylanilino)pyrimidine-4-carboxamide (CID 109356120) is N-(3,4-difluorophenyl)-6-(3-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-(3-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-(3-methylanilino)pyrimidine-4-carboxamide is Cc1cccc(Nc2cc(C(=O)Nc3ccc(F)c(F)c3)ncn2)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-(3-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is BHWISWPQBICCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O/c1-11-3-2-4-12(7-11)23-17-9-16(21-10-22-17)18(25)24-13-5-6-14(19)15(20)8-13/h2-10H,1H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(3,4-difluorophenyl)-6-(3-methylanilino)pyrimidine-4-carboxamide?
N-(3,4-difluorophenyl)-6-(3-methylanilino)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 N-(3,4-difluorophenyl)-6-(3-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109356120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).