[1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol

C14H24ClN5O — CID 62862800

IUPAC[1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol
SMILESCCN(CC)c1nc(Cl)nc(NC2(CO)CCCCC2)n1
InChIInChI=1S/C14H24ClN5O/c1-3-20(4-2)13-17-11(15)16-12(18-13)19-14(10-21)8-6-5-7-9-14/h21H,3-10H2,1-2H3,(H,16,17,18,19)
InChIKeyWBNYBNUGZJGGOA-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.48
Rot. Bonds6

About [1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol

[1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol (PubChem CID 62862800) has the molecular formula C14H24ClN5O and a molecular weight of 313.83 g/mol. Its IUPAC name is [1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol
PubChem CID62862800
Molecular FormulaC14H24ClN5O
Molecular Weight313.83 g/mol
Exact Mass313.17
IUPAC Name[1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol
SMILESCCN(CC)c1nc(Cl)nc(NC2(CO)CCCCC2)n1
InChIInChI=1S/C14H24ClN5O/c1-3-20(4-2)13-17-11(15)16-12(18-13)19-14(10-21)8-6-5-7-9-14/h21H,3-10H2,1-2H3,(H,16,17,18,19)
InChIKeyWBNYBNUGZJGGOA-UHFFFAOYSA-N
XLogP2.48
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.48
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-(diethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol?
The IUPAC name of [1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol (CID 62862800) is [1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol.
What is the SMILES notation for [1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol?
The canonical SMILES for [1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol is CCN(CC)c1nc(Cl)nc(NC2(CO)CCCCC2)n1.
What is the InChIKey of [1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol?
The InChIKey is WBNYBNUGZJGGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN5O/c1-3-20(4-2)13-17-11(15)16-12(18-13)19-14(10-21)8-6-5-7-9-14/h21H,3-10H2,1-2H3,(H,16,17,18,19).
What are the key properties of [1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol?
[1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol has a molecular weight of 313.83 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol is sourced from PubChem (CID 62862800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).