6-methoxy-2-N-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine

C8H13N5O2 — CID 80854102

IUPAC6-methoxy-2-N-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NC2CCOC2)n1
InChIInChI=1S/C8H13N5O2/c1-14-8-12-6(9)11-7(13-8)10-5-2-3-15-4-5/h5H,2-4H2,1H3,(H3,9,10,11,12,13)
InChIKeyPFJSBSOCTTUZMU-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.34
Rot. Bonds3

About 6-methoxy-2-N-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine

6-methoxy-2-N-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80854102) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 6-methoxy-2-N-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80854102
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name6-methoxy-2-N-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NC2CCOC2)n1
InChIInChI=1S/C8H13N5O2/c1-14-8-12-6(9)11-7(13-8)10-5-2-3-15-4-5/h5H,2-4H2,1H3,(H3,9,10,11,12,13)
InChIKeyPFJSBSOCTTUZMU-UHFFFAOYSA-N
XLogP-0.34
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-2-N-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine (CID 80854102) is 6-methoxy-2-N-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-2-N-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-2-N-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine is COc1nc(N)nc(NC2CCOC2)n1.
What is the InChIKey of 6-methoxy-2-N-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is PFJSBSOCTTUZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-14-8-12-6(9)11-7(13-8)10-5-2-3-15-4-5/h5H,2-4H2,1H3,(H3,9,10,11,12,13).
What are the key properties of 6-methoxy-2-N-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine?
6-methoxy-2-N-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 211.22 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80854102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).