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

C12H22N6O — CID 83180133

IUPAC3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol
SMILESCC(CCO)Nc1nc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C12H22N6O/c1-9(5-8-19)14-11-15-10(13)16-12(17-11)18-6-3-2-4-7-18/h9,19H,2-8H2,1H3,(H3,13,14,15,16,17)
InChIKeyCCSSPRRDIWJHIY-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.63
Rot. Bonds5

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

3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol (PubChem CID 83180133) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol
PubChem CID83180133
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol
SMILESCC(CCO)Nc1nc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C12H22N6O/c1-9(5-8-19)14-11-15-10(13)16-12(17-11)18-6-3-2-4-7-18/h9,19H,2-8H2,1H3,(H3,13,14,15,16,17)
InChIKeyCCSSPRRDIWJHIY-UHFFFAOYSA-N
XLogP0.63
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

4-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 80852828
2-N-(4-methylhexan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80829230
2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
CID 80804171
3-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol
CID 80841852
2-N-(3-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80784864
4-chloro-N-(5-methylhexan-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 63925934
2-N-(2-methylpropyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80769665
5-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-2-ol
CID 106138204
methyl 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanoate
CID 80791113
2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide
CID 80803085
2-N-(4-methoxybutan-2-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80844752
2-N-heptan-2-yl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80781816

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol?
The IUPAC name of 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol (CID 83180133) is 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol.
What is the SMILES notation for 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol?
The canonical SMILES for 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol is CC(CCO)Nc1nc(N)nc(N2CCCCC2)n1.
What is the InChIKey of 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol?
The InChIKey is CCSSPRRDIWJHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-9(5-8-19)14-11-15-10(13)16-12(17-11)18-6-3-2-4-7-18/h9,19H,2-8H2,1H3,(H3,13,14,15,16,17).
What are the key properties of 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol?
3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol has a molecular weight of 266.35 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol is sourced from PubChem (CID 83180133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).