3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropanamide

C11H21N7O — CID 106280499

IUPAC3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropanamide
SMILESCNc1nc(NCC(C)(C)C(N)=O)nc(N(C)C)n1
InChIInChI=1S/C11H21N7O/c1-11(2,7(12)19)6-14-9-15-8(13-3)16-10(17-9)18(4)5/h6H2,1-5H3,(H2,12,19)(H2,13,14,15,16,17)
InChIKeyFAGLWLZPKDSZPS-UHFFFAOYSA-N
MW267.34 g/mol
LogP-0.10
Rot. Bonds6

About 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropanamide

3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropanamide (PubChem CID 106280499) has the molecular formula C11H21N7O and a molecular weight of 267.34 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropanamide
PubChem CID106280499
Molecular FormulaC11H21N7O
Molecular Weight267.34 g/mol
Exact Mass267.18
IUPAC Name3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropanamide
SMILESCNc1nc(NCC(C)(C)C(N)=O)nc(N(C)C)n1
InChIInChI=1S/C11H21N7O/c1-11(2,7(12)19)6-14-9-15-8(13-3)16-10(17-9)18(4)5/h6H2,1-5H3,(H2,12,19)(H2,13,14,15,16,17)
InChIKeyFAGLWLZPKDSZPS-UHFFFAOYSA-N
XLogP-0.10
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropanamide (CID 106280499) is 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropanamide is CNc1nc(NCC(C)(C)C(N)=O)nc(N(C)C)n1.
What is the InChIKey of 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropanamide?
The InChIKey is FAGLWLZPKDSZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N7O/c1-11(2,7(12)19)6-14-9-15-8(13-3)16-10(17-9)18(4)5/h6H2,1-5H3,(H2,12,19)(H2,13,14,15,16,17).
What are the key properties of 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropanamide?
3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropanamide has a molecular weight of 267.34 g/mol, XLogP of -0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106280499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).