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

C12H20ClN5O — CID 810973

IUPAC2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C12H20ClN5O/c1-12(2,8-19)17-10-14-9(13)15-11(16-10)18-6-4-3-5-7-18/h19H,3-8H2,1-2H3,(H,14,15,16,17)
InChIKeyCTBWMXCALZDJIT-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.70
Rot. Bonds4

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

2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol (PubChem CID 810973) has the molecular formula C12H20ClN5O and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol
PubChem CID810973
Molecular FormulaC12H20ClN5O
Molecular Weight285.78 g/mol
Exact Mass285.14
IUPAC Name2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C12H20ClN5O/c1-12(2,8-19)17-10-14-9(13)15-11(16-10)18-6-4-3-5-7-18/h19H,3-8H2,1-2H3,(H,14,15,16,17)
InChIKeyCTBWMXCALZDJIT-UHFFFAOYSA-N
XLogP1.70
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-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 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol (CID 810973) is 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol is CC(C)(CO)Nc1nc(Cl)nc(N2CCCCC2)n1.
What is the InChIKey of 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol?
The InChIKey is CTBWMXCALZDJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5O/c1-12(2,8-19)17-10-14-9(13)15-11(16-10)18-6-4-3-5-7-18/h19H,3-8H2,1-2H3,(H,14,15,16,17).
What are the key properties of 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol?
2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol has a molecular weight of 285.78 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 810973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).