N-[4-(dimethylamino)pyrimidin-5-yl]-3,4-difluorobenzamide

C13H12F2N4O — CID 122142561

IUPACN-[4-(dimethylamino)pyrimidin-5-yl]-3,4-difluorobenzamide
SMILESCN(C)c1ncncc1NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H12F2N4O/c1-19(2)12-11(6-16-7-17-12)18-13(20)8-3-4-9(14)10(15)5-8/h3-7H,1-2H3,(H,18,20)
InChIKeyOSVXMSBWXCFNMV-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.07
Rot. Bonds3

About N-[4-(dimethylamino)pyrimidin-5-yl]-3,4-difluorobenzamide

N-[4-(dimethylamino)pyrimidin-5-yl]-3,4-difluorobenzamide (PubChem CID 122142561) has the molecular formula C13H12F2N4O and a molecular weight of 278.26 g/mol. Its IUPAC name is N-[4-(dimethylamino)pyrimidin-5-yl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)pyrimidin-5-yl]-3,4-difluorobenzamide
PubChem CID122142561
Molecular FormulaC13H12F2N4O
Molecular Weight278.26 g/mol
Exact Mass278.10
IUPAC NameN-[4-(dimethylamino)pyrimidin-5-yl]-3,4-difluorobenzamide
SMILESCN(C)c1ncncc1NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H12F2N4O/c1-19(2)12-11(6-16-7-17-12)18-13(20)8-3-4-9(14)10(15)5-8/h3-7H,1-2H3,(H,18,20)
InChIKeyOSVXMSBWXCFNMV-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

5-chloro-N-[4-(dimethylamino)pyrimidin-5-yl]pyridine-2-carboxamide
CID 71914219
1-(4-chloro-2-fluorophenyl)-N-[4-(dimethylamino)pyrimidin-5-yl]-5-methyltriazole-4-carboxamide
CID 99695383
N-(3-amino-4-pyridinyl)-3,4-difluorobenzamide
CID 63061741
4-amino-N-[4-(dimethylamino)-3-pyridinyl]-3-fluorobenzamide
CID 63187716
N-[4-(dimethylamino)pyrimidin-5-yl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 96537850
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-fluoropyridine-3-carboxamide
CID 122319790
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 38956363
N-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide
CID 30430307
N-(3,4-difluorophenyl)-2-(dimethylamino)pyrimidine-5-carboxamide
CID 53007857
3-fluoro-4-(pyrimidine-5-carbonylamino)benzoic acid
CID 102921504
3,4-difluoro-N-(1H-indazol-7-yl)benzamide
CID 110473054
4-acetyl-N-[2,4-bis(dimethylamino)pyrimidin-5-yl]benzamide
CID 122319784

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)pyrimidin-5-yl]-3,4-difluorobenzamide?
The IUPAC name of N-[4-(dimethylamino)pyrimidin-5-yl]-3,4-difluorobenzamide (CID 122142561) is N-[4-(dimethylamino)pyrimidin-5-yl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[4-(dimethylamino)pyrimidin-5-yl]-3,4-difluorobenzamide?
The canonical SMILES for N-[4-(dimethylamino)pyrimidin-5-yl]-3,4-difluorobenzamide is CN(C)c1ncncc1NC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-[4-(dimethylamino)pyrimidin-5-yl]-3,4-difluorobenzamide?
The InChIKey is OSVXMSBWXCFNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N4O/c1-19(2)12-11(6-16-7-17-12)18-13(20)8-3-4-9(14)10(15)5-8/h3-7H,1-2H3,(H,18,20).
What are the key properties of N-[4-(dimethylamino)pyrimidin-5-yl]-3,4-difluorobenzamide?
N-[4-(dimethylamino)pyrimidin-5-yl]-3,4-difluorobenzamide 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-[4-(dimethylamino)pyrimidin-5-yl]-3,4-difluorobenzamide is sourced from PubChem (CID 122142561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).