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

C13H21N7O — CID 80773571

IUPAC2-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
SMILESCCCNc1nc(NC(CC)CO)nc(-n2ccnc2)n1
InChIInChI=1S/C13H21N7O/c1-3-5-15-11-17-12(16-10(4-2)8-21)19-13(18-11)20-7-6-14-9-20/h6-7,9-10,21H,3-5,8H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyLPAMGZVZRULWII-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.06
Rot. Bonds8

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

2-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol (PubChem CID 80773571) has the molecular formula C13H21N7O and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
PubChem CID80773571
Molecular FormulaC13H21N7O
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Name2-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
SMILESCCCNc1nc(NC(CC)CO)nc(-n2ccnc2)n1
InChIInChI=1S/C13H21N7O/c1-3-5-15-11-17-12(16-10(4-2)8-21)19-13(18-11)20-7-6-14-9-20/h6-7,9-10,21H,3-5,8H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyLPAMGZVZRULWII-UHFFFAOYSA-N
XLogP1.06
TPSA100.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
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

Analyze 2-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol with MolForge

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Related Compounds

3-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 80832648
6-imidazol-1-yl-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80751147
2-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 80773574
2-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80779864
N-hexan-3-yl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80908114
5-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324013
4-imidazol-1-yl-6-(2-methylpropylsulfanyl)-N-propyl-1,3,5-triazin-2-amine
CID 80893406
2-N-pentan-3-yl-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80750141
6-imidazol-1-yl-4-N-propyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine
CID 80833674
4-but-3-yn-2-yloxy-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 106795382
2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
CID 80848735
3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80944977

Frequently Asked Questions

What is the IUPAC name of 2-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
The IUPAC name of 2-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol (CID 80773571) is 2-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
The canonical SMILES for 2-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol is CCCNc1nc(NC(CC)CO)nc(-n2ccnc2)n1.
What is the InChIKey of 2-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
The InChIKey is LPAMGZVZRULWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7O/c1-3-5-15-11-17-12(16-10(4-2)8-21)19-13(18-11)20-7-6-14-9-20/h6-7,9-10,21H,3-5,8H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 2-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
2-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol has a molecular weight of 291.36 g/mol, XLogP of 1.06, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 80773571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).