N,2-dimethyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzamide

C15H18N4O — CID 62749644

IUPACN,2-dimethyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzamide
SMILESCNC(=O)c1cccc(NCc2ccnc(C)n2)c1C
InChIInChI=1S/C15H18N4O/c1-10-13(15(20)16-3)5-4-6-14(10)18-9-12-7-8-17-11(2)19-12/h4-8,18H,9H2,1-3H3,(H,16,20)
InChIKeyDQLJBTUHESKCMW-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.07
Rot. Bonds4

About N,2-dimethyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzamide

N,2-dimethyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzamide (PubChem CID 62749644) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N,2-dimethyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzamide.

Molecular Properties

Compound NameN,2-dimethyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzamide
PubChem CID62749644
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN,2-dimethyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzamide
SMILESCNC(=O)c1cccc(NCc2ccnc(C)n2)c1C
InChIInChI=1S/C15H18N4O/c1-10-13(15(20)16-3)5-4-6-14(10)18-9-12-7-8-17-11(2)19-12/h4-8,18H,9H2,1-3H3,(H,16,20)
InChIKeyDQLJBTUHESKCMW-UHFFFAOYSA-N
XLogP2.07
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2-methylpyrimidin-4-yl)methylamino]benzoate
CID 62749628
3-[(3-hydroxyphenyl)methylamino]-N,2-dimethylbenzamide
CID 43734564
N-[(2-methylpyrimidin-4-yl)methyl]-2-methylsulfonylbenzamide
CID 60537589
N,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 115688065
N-[(2-methylpyrimidin-4-yl)methyl]quinolin-8-amine
CID 62749451
3-[(5-ethylfuran-2-yl)methylamino]-N,2-dimethylbenzamide
CID 62345277
2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62747320
3-[(6-methoxy-3-pyridinyl)methylamino]-N,2-dimethylbenzamide
CID 114936559
N,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 43734492
3-fluoro-2-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 62660449
3-[(4-chloro-2-methylphenyl)methylamino]-N,2-dimethylbenzamide
CID 104853999
6-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2-carboxamide
CID 62238643

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzamide?
The IUPAC name of N,2-dimethyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzamide (CID 62749644) is N,2-dimethyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzamide.
What is the SMILES notation for N,2-dimethyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzamide?
The canonical SMILES for N,2-dimethyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzamide is CNC(=O)c1cccc(NCc2ccnc(C)n2)c1C.
What is the InChIKey of N,2-dimethyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzamide?
The InChIKey is DQLJBTUHESKCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10-13(15(20)16-3)5-4-6-14(10)18-9-12-7-8-17-11(2)19-12/h4-8,18H,9H2,1-3H3,(H,16,20).
What are the key properties of N,2-dimethyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzamide?
N,2-dimethyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzamide has a molecular weight of 270.34 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzamide is sourced from PubChem (CID 62749644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).