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

C14H24ClN5O — CID 64911090

IUPAC2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
SMILESCCN(CC)c1nc(Cl)nc(NCC2CCCCC2O)n1
InChIInChI=1S/C14H24ClN5O/c1-3-20(4-2)14-18-12(15)17-13(19-14)16-9-10-7-5-6-8-11(10)21/h10-11,21H,3-9H2,1-2H3,(H,16,17,18,19)
InChIKeyCTQQQQHSLPROQH-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.33
Rot. Bonds6

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

2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 64911090) has the molecular formula C14H24ClN5O and a molecular weight of 313.83 g/mol. Its IUPAC name is 2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
PubChem CID64911090
Molecular FormulaC14H24ClN5O
Molecular Weight313.83 g/mol
Exact Mass313.17
IUPAC Name2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
SMILESCCN(CC)c1nc(Cl)nc(NCC2CCCCC2O)n1
InChIInChI=1S/C14H24ClN5O/c1-3-20(4-2)14-18-12(15)17-13(19-14)16-9-10-7-5-6-8-11(10)21/h10-11,21H,3-9H2,1-2H3,(H,16,17,18,19)
InChIKeyCTQQQQHSLPROQH-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
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-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol (CID 64911090) is 2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol is CCN(CC)c1nc(Cl)nc(NCC2CCCCC2O)n1.
What is the InChIKey of 2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is CTQQQQHSLPROQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN5O/c1-3-20(4-2)14-18-12(15)17-13(19-14)16-9-10-7-5-6-8-11(10)21/h10-11,21H,3-9H2,1-2H3,(H,16,17,18,19).
What are the key properties of 2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol?
2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 313.83 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64911090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).