3-[[(6-methylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide

C16H20N4O — CID 133297094

IUPAC3-[[(6-methylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(CNc2cc(C)ncn2)c1
InChIInChI=1S/C16H20N4O/c1-3-7-17-16(21)14-6-4-5-13(9-14)10-18-15-8-12(2)19-11-20-15/h4-6,8-9,11H,3,7,10H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyXLAFLVJBQJSLEF-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.54
Rot. Bonds6

About 3-[[(6-methylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide

3-[[(6-methylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide (PubChem CID 133297094) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[[(6-methylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide.

Molecular Properties

Compound Name3-[[(6-methylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide
PubChem CID133297094
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-[[(6-methylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(CNc2cc(C)ncn2)c1
InChIInChI=1S/C16H20N4O/c1-3-7-17-16(21)14-6-4-5-13(9-14)10-18-15-8-12(2)19-11-20-15/h4-6,8-9,11H,3,7,10H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyXLAFLVJBQJSLEF-UHFFFAOYSA-N
XLogP2.54
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide
CID 133297097
3-[[(6-methoxypyrimidin-4-yl)amino]methyl]-N-methylbenzamide
CID 50983438
3-[[(4-ethylphenyl)methylcarbamoylamino]methyl]-N-propylbenzamide
CID 119041393
4-fluoro-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]benzamide
CID 133298596
3-(2-phenylethyl)-N-propylbenzamide
CID 67214540
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]-N-propylbenzamide
CID 133317629
N-propyl-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide
CID 133317628
N-[[3-(methoxymethyl)phenyl]methyl]-6-methylpyrimidin-4-amine
CID 61226702
3-[[(N'-methyl-N-propylcarbamimidoyl)amino]methyl]-N-propylbenzamide;hydroiodide
CID 111228390
3-[(4-methylphenyl)methylamino]-N-propylbenzamide
CID 43675970
3-[[(6-phenylpyrimidin-4-yl)amino]methyl]benzoic acid
CID 108778302

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-methylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide?
The IUPAC name of 3-[[(6-methylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide (CID 133297094) is 3-[[(6-methylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide.
What is the SMILES notation for 3-[[(6-methylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide?
The canonical SMILES for 3-[[(6-methylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide is CCCNC(=O)c1cccc(CNc2cc(C)ncn2)c1.
What is the InChIKey of 3-[[(6-methylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide?
The InChIKey is XLAFLVJBQJSLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-7-17-16(21)14-6-4-5-13(9-14)10-18-15-8-12(2)19-11-20-15/h4-6,8-9,11H,3,7,10H2,1-2H3,(H,17,21)(H,18,19,20).
What are the key properties of 3-[[(6-methylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide?
3-[[(6-methylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-methylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide is sourced from PubChem (CID 133297094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).