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

C13H22ClN5O — CID 65108967

IUPAC1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C13H22ClN5O/c1-3-13(2,20)9-15-11-16-10(14)17-12(18-11)19-7-5-4-6-8-19/h20H,3-9H2,1-2H3,(H,15,16,17,18)
InChIKeyPXUQVLDCRNDBDH-UHFFFAOYSA-N
MW299.81 g/mol
LogP2.09
Rot. Bonds5

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

1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-2-ol (PubChem CID 65108967) has the molecular formula C13H22ClN5O and a molecular weight of 299.81 g/mol. Its IUPAC name is 1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-2-ol
PubChem CID65108967
Molecular FormulaC13H22ClN5O
Molecular Weight299.81 g/mol
Exact Mass299.15
IUPAC Name1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C13H22ClN5O/c1-3-13(2,20)9-15-11-16-10(14)17-12(18-11)19-7-5-4-6-8-19/h20H,3-9H2,1-2H3,(H,15,16,17,18)
InChIKeyPXUQVLDCRNDBDH-UHFFFAOYSA-N
XLogP2.09
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-2-ol?
The IUPAC name of 1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-2-ol (CID 65108967) is 1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-2-ol is CCC(C)(O)CNc1nc(Cl)nc(N2CCCCC2)n1.
What is the InChIKey of 1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-2-ol?
The InChIKey is PXUQVLDCRNDBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5O/c1-3-13(2,20)9-15-11-16-10(14)17-12(18-11)19-7-5-4-6-8-19/h20H,3-9H2,1-2H3,(H,15,16,17,18).
What are the key properties of 1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-2-ol?
1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-2-ol has a molecular weight of 299.81 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 65108967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).