N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-fluoro-4-methylbenzamide

C15H17FN4O — CID 122322557

IUPACN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2nccc(N(C)C)n2)cc1F
InChIInChI=1S/C15H17FN4O/c1-10-4-5-11(8-12(10)16)15(21)18-9-13-17-7-6-14(19-13)20(2)3/h4-8H,9H2,1-3H3,(H,18,21)
InChIKeyVKTSDDHKLIZVCQ-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.92
Rot. Bonds4

About N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-fluoro-4-methylbenzamide

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-fluoro-4-methylbenzamide (PubChem CID 122322557) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-fluoro-4-methylbenzamide
PubChem CID122322557
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2nccc(N(C)C)n2)cc1F
InChIInChI=1S/C15H17FN4O/c1-10-4-5-11(8-12(10)16)15(21)18-9-13-17-7-6-14(19-13)20(2)3/h4-8H,9H2,1-3H3,(H,18,21)
InChIKeyVKTSDDHKLIZVCQ-UHFFFAOYSA-N
XLogP1.92
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-methylbenzamide
CID 91967035
4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzamide
CID 122322625
3-fluoro-4-methyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318546
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,4-difluorobenzamide
CID 91967056
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(4-fluorophenoxy)benzamide
CID 122322627
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-6-oxopyran-3-carboxamide
CID 122322467
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-3-carboxamide
CID 122322468
1-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(3,4-dimethylphenyl)urea
CID 72718253
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3,4-dimethylbenzamide
CID 47028147
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-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoro-4-methylbenzamide
CID 47345055

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-fluoro-4-methylbenzamide (CID 122322557) is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)NCc2nccc(N(C)C)n2)cc1F.
What is the InChIKey of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-fluoro-4-methylbenzamide?
The InChIKey is VKTSDDHKLIZVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-10-4-5-11(8-12(10)16)15(21)18-9-13-17-7-6-14(19-13)20(2)3/h4-8H,9H2,1-3H3,(H,18,21).
What are the key properties of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-fluoro-4-methylbenzamide?
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-fluoro-4-methylbenzamide has a molecular weight of 288.33 g/mol, XLogP of 1.92, 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]-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 122322557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).