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

C10H20N6O — CID 113496716

IUPAC1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol
SMILESCCCC(O)CNc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C10H20N6O/c1-4-5-7(17)6-12-9-13-8(11)14-10(15-9)16(2)3/h7,17H,4-6H2,1-3H3,(H3,11,12,13,14,15)
InChIKeyFZNIRJHGOUDNLN-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.09
Rot. Bonds6

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

1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol (PubChem CID 113496716) has the molecular formula C10H20N6O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol.

Molecular Properties

Compound Name1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol
PubChem CID113496716
Molecular FormulaC10H20N6O
Molecular Weight240.31 g/mol
Exact Mass240.17
IUPAC Name1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol
SMILESCCCC(O)CNc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C10H20N6O/c1-4-5-7(17)6-12-9-13-8(11)14-10(15-9)16(2)3/h7,17H,4-6H2,1-3H3,(H3,11,12,13,14,15)
InChIKeyFZNIRJHGOUDNLN-UHFFFAOYSA-N
XLogP0.09
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol?
The IUPAC name of 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol (CID 113496716) is 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol.
What is the SMILES notation for 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol?
The canonical SMILES for 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol is CCCC(O)CNc1nc(N)nc(N(C)C)n1.
What is the InChIKey of 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol?
The InChIKey is FZNIRJHGOUDNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O/c1-4-5-7(17)6-12-9-13-8(11)14-10(15-9)16(2)3/h7,17H,4-6H2,1-3H3,(H3,11,12,13,14,15).
What are the key properties of 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol?
1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol has a molecular weight of 240.31 g/mol, XLogP of 0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol is sourced from PubChem (CID 113496716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).