N-(3,4-difluorophenyl)-2-(dimethylamino)pyrimidine-5-carboxamide

C13H12F2N4O — CID 53007857

IUPACN-(3,4-difluorophenyl)-2-(dimethylamino)pyrimidine-5-carboxamide
SMILESCN(C)c1ncc(C(=O)Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C13H12F2N4O/c1-19(2)13-16-6-8(7-17-13)12(20)18-9-3-4-10(14)11(15)5-9/h3-7H,1-2H3,(H,18,20)
InChIKeyQWCGRTNHFRRHDI-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.07
Rot. Bonds3

About N-(3,4-difluorophenyl)-2-(dimethylamino)pyrimidine-5-carboxamide

N-(3,4-difluorophenyl)-2-(dimethylamino)pyrimidine-5-carboxamide (PubChem CID 53007857) has the molecular formula C13H12F2N4O and a molecular weight of 278.26 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(dimethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(dimethylamino)pyrimidine-5-carboxamide
PubChem CID53007857
Molecular FormulaC13H12F2N4O
Molecular Weight278.26 g/mol
Exact Mass278.10
IUPAC NameN-(3,4-difluorophenyl)-2-(dimethylamino)pyrimidine-5-carboxamide
SMILESCN(C)c1ncc(C(=O)Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C13H12F2N4O/c1-19(2)13-16-6-8(7-17-13)12(20)18-9-3-4-10(14)11(15)5-9/h3-7H,1-2H3,(H,18,20)
InChIKeyQWCGRTNHFRRHDI-UHFFFAOYSA-N
XLogP2.07
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109267710
N-(3,4-difluorophenyl)-1,2-oxazole-4-carboxamide
CID 110865329
2-(4-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268923
6-bromo-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 66462669
2-(2,6-difluoroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109270748
3-N-(3,4-difluorophenyl)-1-N-[4-(dimethylamino)phenyl]benzene-1,3-dicarboxamide
CID 109057750
2-(3,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266908
2-(3,4-dichloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109270604
N-(3-chloro-4-methylphenyl)-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109269177
N-(3,4-difluorophenyl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]pyrimidine-5-carboxamide
CID 109261795
N-(3,4-difluorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266524
N-(3,4-difluorophenyl)-2-fluoropyridine-4-carboxamide
CID 61295443

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(dimethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(dimethylamino)pyrimidine-5-carboxamide (CID 53007857) is N-(3,4-difluorophenyl)-2-(dimethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(dimethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(dimethylamino)pyrimidine-5-carboxamide is CN(C)c1ncc(C(=O)Nc2ccc(F)c(F)c2)cn1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(dimethylamino)pyrimidine-5-carboxamide?
The InChIKey is QWCGRTNHFRRHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N4O/c1-19(2)13-16-6-8(7-17-13)12(20)18-9-3-4-10(14)11(15)5-9/h3-7H,1-2H3,(H,18,20).
What are the key properties of N-(3,4-difluorophenyl)-2-(dimethylamino)pyrimidine-5-carboxamide?
N-(3,4-difluorophenyl)-2-(dimethylamino)pyrimidine-5-carboxamide has a molecular weight of 278.26 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(dimethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 53007857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).