3-[[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol

C13H21ClN4O2 — CID 106137358

IUPAC3-[[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCC(C)Oc1nc(Cl)nc(NCC2CCCC(O)C2)n1
InChIInChI=1S/C13H21ClN4O2/c1-8(2)20-13-17-11(14)16-12(18-13)15-7-9-4-3-5-10(19)6-9/h8-10,19H,3-7H2,1-2H3,(H,15,16,17,18)
InChIKeyIZABVFPZVPJJJA-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.28
Rot. Bonds5

About 3-[[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol

3-[[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 106137358) has the molecular formula C13H21ClN4O2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 3-[[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
PubChem CID106137358
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC Name3-[[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCC(C)Oc1nc(Cl)nc(NCC2CCCC(O)C2)n1
InChIInChI=1S/C13H21ClN4O2/c1-8(2)20-13-17-11(14)16-12(18-13)15-7-9-4-3-5-10(19)6-9/h8-10,19H,3-7H2,1-2H3,(H,15,16,17,18)
InChIKeyIZABVFPZVPJJJA-UHFFFAOYSA-N
XLogP2.28
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol (CID 106137358) is 3-[[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol is CC(C)Oc1nc(Cl)nc(NCC2CCCC(O)C2)n1.
What is the InChIKey of 3-[[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is IZABVFPZVPJJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O2/c1-8(2)20-13-17-11(14)16-12(18-13)15-7-9-4-3-5-10(19)6-9/h8-10,19H,3-7H2,1-2H3,(H,15,16,17,18).
What are the key properties of 3-[[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
3-[[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 300.79 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106137358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).