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

C12H25N7O — CID 106150231

IUPAC1-(dimethylamino)-3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
SMILESCNc1nc(NCC(C)(O)CN(C)C)nc(N(C)C)n1
InChIInChI=1S/C12H25N7O/c1-12(20,8-18(3)4)7-14-10-15-9(13-2)16-11(17-10)19(5)6/h20H,7-8H2,1-6H3,(H2,13,14,15,16,17)
InChIKeyFFHWVGXHUIESPN-UHFFFAOYSA-N
MW283.38 g/mol
LogP-0.30
Rot. Bonds7

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

1-(dimethylamino)-3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol (PubChem CID 106150231) has the molecular formula C12H25N7O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
PubChem CID106150231
Molecular FormulaC12H25N7O
Molecular Weight283.38 g/mol
Exact Mass283.21
IUPAC Name1-(dimethylamino)-3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
SMILESCNc1nc(NCC(C)(O)CN(C)C)nc(N(C)C)n1
InChIInChI=1S/C12H25N7O/c1-12(20,8-18(3)4)7-14-10-15-9(13-2)16-11(17-10)19(5)6/h20H,7-8H2,1-6H3,(H2,13,14,15,16,17)
InChIKeyFFHWVGXHUIESPN-UHFFFAOYSA-N
XLogP-0.30
TPSA89.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol (CID 106150231) is 1-(dimethylamino)-3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol is CNc1nc(NCC(C)(O)CN(C)C)nc(N(C)C)n1.
What is the InChIKey of 1-(dimethylamino)-3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol?
The InChIKey is FFHWVGXHUIESPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N7O/c1-12(20,8-18(3)4)7-14-10-15-9(13-2)16-11(17-10)19(5)6/h20H,7-8H2,1-6H3,(H2,13,14,15,16,17).
What are the key properties of 1-(dimethylamino)-3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol?
1-(dimethylamino)-3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol has a molecular weight of 283.38 g/mol, XLogP of -0.30, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 106150231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).