cis-(1S,2R)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol

C11H18N4O — CID 11020483

IUPACcis-(1S,2R)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol
SMILESCc1nc(C)nc(N[C@@H]2CCCC[C@@H]2O)n1
InChIInChI=1S/C11H18N4O/c1-7-12-8(2)14-11(13-7)15-9-5-3-4-6-10(9)16/h9-10,16H,3-6H2,1-2H3,(H,12,13,14,15)/t9-,10+/m1/s1
InChIKeyLOLOXGAFMKPCBT-ZJUUUORDSA-N
MW222.29 g/mol
LogP1.20
Rot. Bonds2

About cis-(1S,2R)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol

cis-(1S,2R)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol (PubChem CID 11020483) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol
PubChem CID11020483
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Namecis-(1S,2R)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol
SMILESCc1nc(C)nc(N[C@@H]2CCCC[C@@H]2O)n1
InChIInChI=1S/C11H18N4O/c1-7-12-8(2)14-11(13-7)15-9-5-3-4-6-10(9)16/h9-10,16H,3-6H2,1-2H3,(H,12,13,14,15)/t9-,10+/m1/s1
InChIKeyLOLOXGAFMKPCBT-ZJUUUORDSA-N
XLogP1.20
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol (CID 11020483) is cis-(1S,2R)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol is Cc1nc(C)nc(N[C@@H]2CCCC[C@@H]2O)n1.
What is the InChIKey of cis-(1S,2R)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol?
The InChIKey is LOLOXGAFMKPCBT-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7-12-8(2)14-11(13-7)15-9-5-3-4-6-10(9)16/h9-10,16H,3-6H2,1-2H3,(H,12,13,14,15)/t9-,10+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol?
cis-(1S,2R)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol has a molecular weight of 222.29 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 11020483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).