4,6-dimethoxy-N-(oxan-4-yl)-1,3,5-triazin-2-amine

C10H16N4O3 — CID 62861073

IUPAC4,6-dimethoxy-N-(oxan-4-yl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NC2CCOCC2)nc(OC)n1
InChIInChI=1S/C10H16N4O3/c1-15-9-12-8(13-10(14-9)16-2)11-7-3-5-17-6-4-7/h7H,3-6H2,1-2H3,(H,11,12,13,14)
InChIKeyCZRVOVDHEOCYFT-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.48
Rot. Bonds4

About 4,6-dimethoxy-N-(oxan-4-yl)-1,3,5-triazin-2-amine

4,6-dimethoxy-N-(oxan-4-yl)-1,3,5-triazin-2-amine (PubChem CID 62861073) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4,6-dimethoxy-N-(oxan-4-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-(oxan-4-yl)-1,3,5-triazin-2-amine
PubChem CID62861073
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name4,6-dimethoxy-N-(oxan-4-yl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NC2CCOCC2)nc(OC)n1
InChIInChI=1S/C10H16N4O3/c1-15-9-12-8(13-10(14-9)16-2)11-7-3-5-17-6-4-7/h7H,3-6H2,1-2H3,(H,11,12,13,14)
InChIKeyCZRVOVDHEOCYFT-UHFFFAOYSA-N
XLogP0.48
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-(oxan-4-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-(oxan-4-yl)-1,3,5-triazin-2-amine (CID 62861073) is 4,6-dimethoxy-N-(oxan-4-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-(oxan-4-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-(oxan-4-yl)-1,3,5-triazin-2-amine is COc1nc(NC2CCOCC2)nc(OC)n1.
What is the InChIKey of 4,6-dimethoxy-N-(oxan-4-yl)-1,3,5-triazin-2-amine?
The InChIKey is CZRVOVDHEOCYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-15-9-12-8(13-10(14-9)16-2)11-7-3-5-17-6-4-7/h7H,3-6H2,1-2H3,(H,11,12,13,14).
What are the key properties of 4,6-dimethoxy-N-(oxan-4-yl)-1,3,5-triazin-2-amine?
4,6-dimethoxy-N-(oxan-4-yl)-1,3,5-triazin-2-amine has a molecular weight of 240.26 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-(oxan-4-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62861073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).