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

C14H24ClN5O — CID 65108603

IUPAC1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
SMILESCCN(CC)c1nc(Cl)nc(NCC2(O)CCCCC2)n1
InChIInChI=1S/C14H24ClN5O/c1-3-20(4-2)13-18-11(15)17-12(19-13)16-10-14(21)8-6-5-7-9-14/h21H,3-10H2,1-2H3,(H,16,17,18,19)
InChIKeyNYPUGRWTDBYRFH-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.48
Rot. Bonds6

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

1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 65108603) 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]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
PubChem CID65108603
Molecular FormulaC14H24ClN5O
Molecular Weight313.83 g/mol
Exact Mass313.17
IUPAC Name1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
SMILESCCN(CC)c1nc(Cl)nc(NCC2(O)CCCCC2)n1
InChIInChI=1S/C14H24ClN5O/c1-3-20(4-2)13-18-11(15)17-12(19-13)16-10-14(21)8-6-5-7-9-14/h21H,3-10H2,1-2H3,(H,16,17,18,19)
InChIKeyNYPUGRWTDBYRFH-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

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

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Related Compounds

[1-[[4-Chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol
CID 62862800
[1-[[4-Chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol
CID 62865207
2-[[[4-Chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
CID 64911090
3-[[(4-Chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol
CID 65108599
1-[[(4-Chloro-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 65108654
1-[[(4-Chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 65108709
1-[[4-Chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol
CID 65108754
1-[[[4-Chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
CID 65108762
1-[[(4-Chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 65108816
1-[[[4-Chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 65108866
1-[[(4-Chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol
CID 65108919
1-[(4-Chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-2-ol
CID 65108967

Frequently Asked Questions

What is the IUPAC name of 1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol (CID 65108603) is 1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol is CCN(CC)c1nc(Cl)nc(NCC2(O)CCCCC2)n1.
What is the InChIKey of 1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is NYPUGRWTDBYRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN5O/c1-3-20(4-2)13-18-11(15)17-12(19-13)16-10-14(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]methyl]cyclohexan-1-ol?
1-[[[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 2.48, 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]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65108603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).