N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,4-difluorobenzamide

C14H14F2N4O — CID 91967056

IUPACN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,4-difluorobenzamide
SMILESCN(C)c1ccnc(CNC(=O)c2ccc(F)cc2F)n1
InChIInChI=1S/C14H14F2N4O/c1-20(2)13-5-6-17-12(19-13)8-18-14(21)10-4-3-9(15)7-11(10)16/h3-7H,8H2,1-2H3,(H,18,21)
InChIKeyNEOWXUSJWHOWCJ-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.75
Rot. Bonds4

About N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,4-difluorobenzamide

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,4-difluorobenzamide (PubChem CID 91967056) has the molecular formula C14H14F2N4O and a molecular weight of 292.29 g/mol. Its IUPAC name is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,4-difluorobenzamide
PubChem CID91967056
Molecular FormulaC14H14F2N4O
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,4-difluorobenzamide
SMILESCN(C)c1ccnc(CNC(=O)c2ccc(F)cc2F)n1
InChIInChI=1S/C14H14F2N4O/c1-20(2)13-5-6-17-12(19-13)8-18-14(21)10-4-3-9(15)7-11(10)16/h3-7H,8H2,1-2H3,(H,18,21)
InChIKeyNEOWXUSJWHOWCJ-UHFFFAOYSA-N
XLogP1.75
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-fluoro-4-methylbenzamide
CID 122322557
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)acetamide
CID 122322502
4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzamide
CID 122322625
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-methylbenzamide
CID 91967035
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-2-carboxamide
CID 72718228
5-bromo-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]furan-2-carboxamide
CID 72718232
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-3-carboxamide
CID 122322468
2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-4-fluorobenzamide
CID 47028145
2,4-difluoro-N-(pyridin-2-ylmethyl)benzamide
CID 9414595
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-propylthiadiazole-5-carboxamide
CID 122322472
N-[2-(dimethylamino)-2-oxoethyl]-2,4-difluorobenzamide
CID 9480520
2,4-difluoro-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 122263261

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,4-difluorobenzamide?
The IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,4-difluorobenzamide (CID 91967056) is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,4-difluorobenzamide is CN(C)c1ccnc(CNC(=O)c2ccc(F)cc2F)n1.
What is the InChIKey of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,4-difluorobenzamide?
The InChIKey is NEOWXUSJWHOWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O/c1-20(2)13-5-6-17-12(19-13)8-18-14(21)10-4-3-9(15)7-11(10)16/h3-7H,8H2,1-2H3,(H,18,21).
What are the key properties of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,4-difluorobenzamide?
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,4-difluorobenzamide has a molecular weight of 292.29 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,4-difluorobenzamide is sourced from PubChem (CID 91967056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).