4-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol

C16H27N5O2 — CID 133344596

IUPAC4-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol
SMILESCOc1nc(NC2CCC(O)CC2)nc(N2CCCCCC2)n1
InChIInChI=1S/C16H27N5O2/c1-23-16-19-14(17-12-6-8-13(22)9-7-12)18-15(20-16)21-10-4-2-3-5-11-21/h12-13,22H,2-11H2,1H3,(H,17,18,19,20)
InChIKeySZJSNRUWODKGMF-UHFFFAOYSA-N
MW321.43 g/mol
LogP1.98
Rot. Bonds4

About 4-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol

4-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol (PubChem CID 133344596) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 4-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol
PubChem CID133344596
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name4-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol
SMILESCOc1nc(NC2CCC(O)CC2)nc(N2CCCCCC2)n1
InChIInChI=1S/C16H27N5O2/c1-23-16-19-14(17-12-6-8-13(22)9-7-12)18-15(20-16)21-10-4-2-3-5-11-21/h12-13,22H,2-11H2,1H3,(H,17,18,19,20)
InChIKeySZJSNRUWODKGMF-UHFFFAOYSA-N
XLogP1.98
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-(azepan-1-yl)-6-methoxy-N-(1-oxaspiro[5.5]undecan-4-yl)-1,3,5-triazin-2-amine
CID 133377882
N-cyclooctyl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62859800
N-cyclohexyl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 15184090
4-chloro-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 62869030
(2R)-2-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid
CID 122049941
1-[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol
CID 80749464
3-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid
CID 122048209
4-chloro-N-cycloheptyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62870590
2-N-cyclopropyl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770624
4-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol
CID 169246456
1-[1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperidin-3-yl]ethanol
CID 133397690
1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]pyrrolidine-3-carboxylic acid
CID 122048519

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol (CID 133344596) is 4-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol is COc1nc(NC2CCC(O)CC2)nc(N2CCCCCC2)n1.
What is the InChIKey of 4-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is SZJSNRUWODKGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-23-16-19-14(17-12-6-8-13(22)9-7-12)18-15(20-16)21-10-4-2-3-5-11-21/h12-13,22H,2-11H2,1H3,(H,17,18,19,20).
What are the key properties of 4-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol?
4-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 321.43 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 133344596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).