N-(3,4-difluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide

C13H11F2N3O — CID 110865349

IUPACN-(3,4-difluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)c(F)c2)nc(C)n1
InChIInChI=1S/C13H11F2N3O/c1-7-5-12(17-8(2)16-7)13(19)18-9-3-4-10(14)11(15)6-9/h3-6H,1-2H3,(H,18,19)
InChIKeyLNVOINWMQMRQJB-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.62
Rot. Bonds2

About N-(3,4-difluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide

N-(3,4-difluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide (PubChem CID 110865349) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
PubChem CID110865349
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC NameN-(3,4-difluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)c(F)c2)nc(C)n1
InChIInChI=1S/C13H11F2N3O/c1-7-5-12(17-8(2)16-7)13(19)18-9-3-4-10(14)11(15)6-9/h3-6H,1-2H3,(H,18,19)
InChIKeyLNVOINWMQMRQJB-UHFFFAOYSA-N
XLogP2.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110858651
N-(3,4-difluorophenyl)-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360567
N-(3-acetamidophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110861303
N-(3,4-difluorophenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109325855
N-(3,4-difluorophenyl)-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109328519
6-(benzylamino)-N-(3,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109368359
N-(3,4-difluorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846806
N-(4-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110859165
2-chloro-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 114219588
N-(3,4-difluorophenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109323095
N-(3-bromophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110862863
N-(4-cyanophenyl)-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112851206

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide (CID 110865349) is N-(3,4-difluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(F)c(F)c2)nc(C)n1.
What is the InChIKey of N-(3,4-difluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide?
The InChIKey is LNVOINWMQMRQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O/c1-7-5-12(17-8(2)16-7)13(19)18-9-3-4-10(14)11(15)6-9/h3-6H,1-2H3,(H,18,19).
What are the key properties of N-(3,4-difluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide?
N-(3,4-difluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide has a molecular weight of 263.25 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 110865349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).