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

C12H23N7O — CID 80802978

IUPAC2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
SMILESCCCNc1nc(NC(C)C(=O)NC)nc(N(C)C)n1
InChIInChI=1S/C12H23N7O/c1-6-7-14-10-16-11(15-8(2)9(20)13-3)18-12(17-10)19(4)5/h8H,6-7H2,1-5H3,(H,13,20)(H2,14,15,16,17,18)
InChIKeyLTMUNHGEOPTPQR-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.31
Rot. Bonds7

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

2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide (PubChem CID 80802978) has the molecular formula C12H23N7O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
PubChem CID80802978
Molecular FormulaC12H23N7O
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
SMILESCCCNc1nc(NC(C)C(=O)NC)nc(N(C)C)n1
InChIInChI=1S/C12H23N7O/c1-6-7-14-10-16-11(15-8(2)9(20)13-3)18-12(17-10)19(4)5/h8H,6-7H2,1-5H3,(H,13,20)(H2,14,15,16,17,18)
InChIKeyLTMUNHGEOPTPQR-UHFFFAOYSA-N
XLogP0.31
TPSA95.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide
CID 80787461
2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
CID 80896911
2-N,2-N-dimethyl-4-N-(3-methylpentan-2-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80802969
2-N,2-N-dimethyl-4-N-(2-methylpropyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80770907
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80765149
5-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 106138250
2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
CID 135042322
4-N-(2,2-dimethylpropyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80797913
2-N,2-N-dimethyl-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 90159200
N-[2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide
CID 80775196
2-[[4-(dimethylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 67172901
2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80780226

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide?
The IUPAC name of 2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide (CID 80802978) is 2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide is CCCNc1nc(NC(C)C(=O)NC)nc(N(C)C)n1.
What is the InChIKey of 2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide?
The InChIKey is LTMUNHGEOPTPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N7O/c1-6-7-14-10-16-11(15-8(2)9(20)13-3)18-12(17-10)19(4)5/h8H,6-7H2,1-5H3,(H,13,20)(H2,14,15,16,17,18).
What are the key properties of 2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide?
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide has a molecular weight of 281.36 g/mol, XLogP of 0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide is sourced from PubChem (CID 80802978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).