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

C11H17ClN4O2 — CID 65109089

IUPAC1-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCOc1nc(Cl)nc(NCC2(O)CCCCC2)n1
InChIInChI=1S/C11H17ClN4O2/c1-18-10-15-8(12)14-9(16-10)13-7-11(17)5-3-2-4-6-11/h17H,2-7H2,1H3,(H,13,14,15,16)
InChIKeyIHKIJYNEKVHNCY-UHFFFAOYSA-N
MW272.74 g/mol
LogP1.64
Rot. Bonds4

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

1-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 65109089) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 1-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
PubChem CID65109089
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name1-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCOc1nc(Cl)nc(NCC2(O)CCCCC2)n1
InChIInChI=1S/C11H17ClN4O2/c1-18-10-15-8(12)14-9(16-10)13-7-11(17)5-3-2-4-6-11/h17H,2-7H2,1H3,(H,13,14,15,16)
InChIKeyIHKIJYNEKVHNCY-UHFFFAOYSA-N
XLogP1.64
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol (CID 65109089) is 1-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol is COc1nc(Cl)nc(NCC2(O)CCCCC2)n1.
What is the InChIKey of 1-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is IHKIJYNEKVHNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c1-18-10-15-8(12)14-9(16-10)13-7-11(17)5-3-2-4-6-11/h17H,2-7H2,1H3,(H,13,14,15,16).
What are the key properties of 1-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
1-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 272.74 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65109089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).