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

C12H20ClN5O — CID 65108762

IUPAC1-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
SMILESCN(C)c1nc(Cl)nc(NCC2(O)CCCCC2)n1
InChIInChI=1S/C12H20ClN5O/c1-18(2)11-16-9(13)15-10(17-11)14-8-12(19)6-4-3-5-7-12/h19H,3-8H2,1-2H3,(H,14,15,16,17)
InChIKeyNWNGLERTECLEOG-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.70
Rot. Bonds4

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

1-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 65108762) has the molecular formula C12H20ClN5O and a molecular weight of 285.78 g/mol. Its IUPAC name is 1-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
PubChem CID65108762
Molecular FormulaC12H20ClN5O
Molecular Weight285.78 g/mol
Exact Mass285.14
IUPAC Name1-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
SMILESCN(C)c1nc(Cl)nc(NCC2(O)CCCCC2)n1
InChIInChI=1S/C12H20ClN5O/c1-18(2)11-16-9(13)15-10(17-11)14-8-12(19)6-4-3-5-7-12/h19H,3-8H2,1-2H3,(H,14,15,16,17)
InChIKeyNWNGLERTECLEOG-UHFFFAOYSA-N
XLogP1.70
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.70
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-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol (CID 65108762) is 1-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol is CN(C)c1nc(Cl)nc(NCC2(O)CCCCC2)n1.
What is the InChIKey of 1-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is NWNGLERTECLEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5O/c1-18(2)11-16-9(13)15-10(17-11)14-8-12(19)6-4-3-5-7-12/h19H,3-8H2,1-2H3,(H,14,15,16,17).
What are the key properties of 1-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol?
1-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 285.78 g/mol, XLogP of 1.70, 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-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65108762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).