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

C13H21N7O — CID 106296305

IUPAC1-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1nc(NC)nc(-n2ccnc2)n1
InChIInChI=1S/C13H21N7O/c1-4-5-13(2,21)8-16-11-17-10(14-3)18-12(19-11)20-7-6-15-9-20/h6-7,9,21H,4-5,8H2,1-3H3,(H2,14,16,17,18,19)
InChIKeyNBOSLODRBNFMSI-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.06
Rot. Bonds7

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

1-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpentan-2-ol (PubChem CID 106296305) has the molecular formula C13H21N7O and a molecular weight of 291.36 g/mol. Its IUPAC name is 1-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpentan-2-ol
PubChem CID106296305
Molecular FormulaC13H21N7O
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Name1-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1nc(NC)nc(-n2ccnc2)n1
InChIInChI=1S/C13H21N7O/c1-4-5-13(2,21)8-16-11-17-10(14-3)18-12(19-11)20-7-6-15-9-20/h6-7,9,21H,4-5,8H2,1-3H3,(H2,14,16,17,18,19)
InChIKeyNBOSLODRBNFMSI-UHFFFAOYSA-N
XLogP1.06
TPSA100.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpentan-2-ol (CID 106296305) is 1-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpentan-2-ol is CCCC(C)(O)CNc1nc(NC)nc(-n2ccnc2)n1.
What is the InChIKey of 1-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpentan-2-ol?
The InChIKey is NBOSLODRBNFMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7O/c1-4-5-13(2,21)8-16-11-17-10(14-3)18-12(19-11)20-7-6-15-9-20/h6-7,9,21H,4-5,8H2,1-3H3,(H2,14,16,17,18,19).
What are the key properties of 1-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpentan-2-ol?
1-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpentan-2-ol has a molecular weight of 291.36 g/mol, XLogP of 1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpentan-2-ol is sourced from PubChem (CID 106296305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).