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

C13H22ClN5O — CID 23798730

IUPAC2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
SMILESCC1CCN(c2nc(Cl)nc(NC(C)(C)CO)n2)CC1
InChIInChI=1S/C13H22ClN5O/c1-9-4-6-19(7-5-9)12-16-10(14)15-11(17-12)18-13(2,3)8-20/h9,20H,4-8H2,1-3H3,(H,15,16,17,18)
InChIKeyYOUXJQBSGWLJJX-UHFFFAOYSA-N
MW299.81 g/mol
LogP1.94
Rot. Bonds4

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

2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol (PubChem CID 23798730) has the molecular formula C13H22ClN5O and a molecular weight of 299.81 g/mol. Its IUPAC name is 2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
PubChem CID23798730
Molecular FormulaC13H22ClN5O
Molecular Weight299.81 g/mol
Exact Mass299.15
IUPAC Name2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
SMILESCC1CCN(c2nc(Cl)nc(NC(C)(C)CO)n2)CC1
InChIInChI=1S/C13H22ClN5O/c1-9-4-6-19(7-5-9)12-16-10(14)15-11(17-12)18-13(2,3)8-20/h9,20H,4-8H2,1-3H3,(H,15,16,17,18)
InChIKeyYOUXJQBSGWLJJX-UHFFFAOYSA-N
XLogP1.94
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol (CID 23798730) is 2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol is CC1CCN(c2nc(Cl)nc(NC(C)(C)CO)n2)CC1.
What is the InChIKey of 2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The InChIKey is YOUXJQBSGWLJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5O/c1-9-4-6-19(7-5-9)12-16-10(14)15-11(17-12)18-13(2,3)8-20/h9,20H,4-8H2,1-3H3,(H,15,16,17,18).
What are the key properties of 2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol has a molecular weight of 299.81 g/mol, XLogP of 1.94, 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-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 23798730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).