2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide

C9H17N7O — CID 135042322

IUPAC2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1nc(NC)nc(NC)n1
InChIInChI=1S/C9H17N7O/c1-5(6(17)10-2)13-9-15-7(11-3)14-8(12-4)16-9/h5H,1-4H3,(H,10,17)(H3,11,12,13,14,15,16)
InChIKeyDMDPGVMLGVKEDP-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.50
Rot. Bonds5

About 2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide

2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide (PubChem CID 135042322) has the molecular formula C9H17N7O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
PubChem CID135042322
Molecular FormulaC9H17N7O
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1nc(NC)nc(NC)n1
InChIInChI=1S/C9H17N7O/c1-5(6(17)10-2)13-9-15-7(11-3)14-8(12-4)16-9/h5H,1-4H3,(H,10,17)(H3,11,12,13,14,15,16)
InChIKeyDMDPGVMLGVKEDP-UHFFFAOYSA-N
XLogP-0.50
TPSA103.86 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

Cyanazine amide
CID 115299
2-[[4,6-bis(isopropylamino)-1,3,5-triazin-2-yl](cyano)amino]-N,N-diethylpropanamide
CID 2909387
2-{cyano[4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl]amino}-N,N-diethylpropanamide
CID 4518737
4,6-Bis(propan-2-ylamino)-1,3,5-triazine-2-carboxamide
CID 647855
2-(N-(4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl)cyanamido)-N,N-dimethylpropanamide
CID 658316
2-(N-(4,6-bis(dimethylamino)-1,3,5-triazin-2-yl)cyanamido)-N,N-dimethylpropanamide
CID 657493
2-[[4,6-bis(isopropylamino)-1,3,5-triazin-2-yl](cyano)amino]-N,N-diethylacetamide
CID 658241
2-[[4-(2-Acetamidoethylamino)-6-[bis(3-aminopropyl)amino]-1,3,5-triazin-2-yl]amino]acetamide
CID 168282824
N~2~-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-N~2~-cyano-N~1~-methylglycinamide
CID 972830
N2-Cyano-N2-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N1,N1-dimethylalaninamide
CID 552007
2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylpropanamide
CID 3094812
2-{cyano[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino}-N,N-dimethylpropanamide
CID 4549115

Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide?
The IUPAC name of 2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide (CID 135042322) is 2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide is CNC(=O)C(C)Nc1nc(NC)nc(NC)n1.
What is the InChIKey of 2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide?
The InChIKey is DMDPGVMLGVKEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N7O/c1-5(6(17)10-2)13-9-15-7(11-3)14-8(12-4)16-9/h5H,1-4H3,(H,10,17)(H3,11,12,13,14,15,16).
What are the key properties of 2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide?
2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide has a molecular weight of 239.28 g/mol, XLogP of -0.50, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide is sourced from PubChem (CID 135042322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).