4-(azepan-1-yl)-6-methoxy-N-(1-oxaspiro[5.5]undecan-4-yl)-1,3,5-triazin-2-amine

C20H33N5O2 — CID 133377882

IUPAC4-(azepan-1-yl)-6-methoxy-N-(1-oxaspiro[5.5]undecan-4-yl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NC2CCOC3(CCCCC3)C2)nc(N2CCCCCC2)n1
InChIInChI=1S/C20H33N5O2/c1-26-19-23-17(22-18(24-19)25-12-7-2-3-8-13-25)21-16-9-14-27-20(15-16)10-5-4-6-11-20/h16H,2-15H2,1H3,(H,21,22,23,24)
InChIKeyNKVDJQMUGYJHAX-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.55
Rot. Bonds4

About 4-(azepan-1-yl)-6-methoxy-N-(1-oxaspiro[5.5]undecan-4-yl)-1,3,5-triazin-2-amine

4-(azepan-1-yl)-6-methoxy-N-(1-oxaspiro[5.5]undecan-4-yl)-1,3,5-triazin-2-amine (PubChem CID 133377882) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 4-(azepan-1-yl)-6-methoxy-N-(1-oxaspiro[5.5]undecan-4-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-6-methoxy-N-(1-oxaspiro[5.5]undecan-4-yl)-1,3,5-triazin-2-amine
PubChem CID133377882
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name4-(azepan-1-yl)-6-methoxy-N-(1-oxaspiro[5.5]undecan-4-yl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NC2CCOC3(CCCCC3)C2)nc(N2CCCCCC2)n1
InChIInChI=1S/C20H33N5O2/c1-26-19-23-17(22-18(24-19)25-12-7-2-3-8-13-25)21-16-9-14-27-20(15-16)10-5-4-6-11-20/h16H,2-15H2,1H3,(H,21,22,23,24)
InChIKeyNKVDJQMUGYJHAX-UHFFFAOYSA-N
XLogP3.55
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(azepan-1-yl)-6-methoxy-N-(1-oxaspiro[5.5]undecan-4-yl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol
CID 133344596
4-methyl-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-2-amine
CID 97234618
2-N-(oxan-4-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80789723
2-(methoxymethyl)-6-methyl-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]pyrimidin-4-amine
CID 98559254
4-(4,4-dimethylpiperidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80823839
4,6-dimethoxy-N-(oxan-4-yl)-1,3,5-triazin-2-amine
CID 62861073
6-(3-methylpiperidin-1-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine
CID 133377833
[4-(8-azaspiro[4.5]decan-8-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80914000
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
2-(methoxymethyl)-6-methyl-N-[(9S)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-4-amine
CID 97234627
N-(3,5-dimethoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898455

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-6-methoxy-N-(1-oxaspiro[5.5]undecan-4-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(azepan-1-yl)-6-methoxy-N-(1-oxaspiro[5.5]undecan-4-yl)-1,3,5-triazin-2-amine (CID 133377882) is 4-(azepan-1-yl)-6-methoxy-N-(1-oxaspiro[5.5]undecan-4-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(azepan-1-yl)-6-methoxy-N-(1-oxaspiro[5.5]undecan-4-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(azepan-1-yl)-6-methoxy-N-(1-oxaspiro[5.5]undecan-4-yl)-1,3,5-triazin-2-amine is COc1nc(NC2CCOC3(CCCCC3)C2)nc(N2CCCCCC2)n1.
What is the InChIKey of 4-(azepan-1-yl)-6-methoxy-N-(1-oxaspiro[5.5]undecan-4-yl)-1,3,5-triazin-2-amine?
The InChIKey is NKVDJQMUGYJHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-26-19-23-17(22-18(24-19)25-12-7-2-3-8-13-25)21-16-9-14-27-20(15-16)10-5-4-6-11-20/h16H,2-15H2,1H3,(H,21,22,23,24).
What are the key properties of 4-(azepan-1-yl)-6-methoxy-N-(1-oxaspiro[5.5]undecan-4-yl)-1,3,5-triazin-2-amine?
4-(azepan-1-yl)-6-methoxy-N-(1-oxaspiro[5.5]undecan-4-yl)-1,3,5-triazin-2-amine has a molecular weight of 375.52 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-6-methoxy-N-(1-oxaspiro[5.5]undecan-4-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 133377882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).