3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]-N-methylbenzamide

C17H24N6O — CID 133418388

IUPAC3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CNc2nc(C(C)C)nc(N(C)C)n2)c1
InChIInChI=1S/C17H24N6O/c1-11(2)14-20-16(22-17(21-14)23(4)5)19-10-12-7-6-8-13(9-12)15(24)18-3/h6-9,11H,10H2,1-5H3,(H,18,24)(H,19,20,21,22)
InChIKeyKCBMOTCVYWJSFW-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.03
Rot. Bonds6

About 3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]-N-methylbenzamide

3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]-N-methylbenzamide (PubChem CID 133418388) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]-N-methylbenzamide
PubChem CID133418388
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CNc2nc(C(C)C)nc(N(C)C)n2)c1
InChIInChI=1S/C17H24N6O/c1-11(2)14-20-16(22-17(21-14)23(4)5)19-10-12-7-6-8-13(9-12)15(24)18-3/h6-9,11H,10H2,1-5H3,(H,18,24)(H,19,20,21,22)
InChIKeyKCBMOTCVYWJSFW-UHFFFAOYSA-N
XLogP2.03
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3-pyridin-2-ylphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 133421851
N-methyl-3-[[[5-methyl-2-[[3-(methylcarbamoyl)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]benzamide
CID 133349118
3-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-methylbenzamide
CID 133335514
3-(aminomethyl)-N-methylbenzamide;ethane
CID 143416429
6-chloro-2-N,2-N-dimethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 55125138
3-ethyl-N-methylbenzamide
CID 59115297
3-[[(6-methoxypyrimidin-4-yl)amino]methyl]-N-methylbenzamide
CID 50983438
3-[[4-(dimethylamino)phenyl]methylamino]-N-methylbenzamide
CID 28650216
N-methyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzamide;hydroiodide
CID 110918662
3-[(ethenylamino)methyl]-N-methylbenzamide
CID 156799319
4-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid
CID 122059092
3-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]-N-methylbenzamide
CID 119719988

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]-N-methylbenzamide?
The IUPAC name of 3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]-N-methylbenzamide (CID 133418388) is 3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]-N-methylbenzamide is CNC(=O)c1cccc(CNc2nc(C(C)C)nc(N(C)C)n2)c1.
What is the InChIKey of 3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]-N-methylbenzamide?
The InChIKey is KCBMOTCVYWJSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-11(2)14-20-16(22-17(21-14)23(4)5)19-10-12-7-6-8-13(9-12)15(24)18-3/h6-9,11H,10H2,1-5H3,(H,18,24)(H,19,20,21,22).
What are the key properties of 3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]-N-methylbenzamide?
3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]-N-methylbenzamide has a molecular weight of 328.42 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 133418388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).