4-methoxy-N-methyl-6-(oxan-4-ylmethoxy)-1,3,5-triazin-2-amine

C11H18N4O3 — CID 80880671

IUPAC4-methoxy-N-methyl-6-(oxan-4-ylmethoxy)-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(OCC2CCOCC2)n1
InChIInChI=1S/C11H18N4O3/c1-12-9-13-10(16-2)15-11(14-9)18-7-8-3-5-17-6-4-8/h8H,3-7H2,1-2H3,(H,12,13,14,15)
InChIKeyMXQKVVMOWDOPRU-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.73
Rot. Bonds5

About 4-methoxy-N-methyl-6-(oxan-4-ylmethoxy)-1,3,5-triazin-2-amine

4-methoxy-N-methyl-6-(oxan-4-ylmethoxy)-1,3,5-triazin-2-amine (PubChem CID 80880671) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-methoxy-N-methyl-6-(oxan-4-ylmethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-6-(oxan-4-ylmethoxy)-1,3,5-triazin-2-amine
PubChem CID80880671
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name4-methoxy-N-methyl-6-(oxan-4-ylmethoxy)-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(OCC2CCOCC2)n1
InChIInChI=1S/C11H18N4O3/c1-12-9-13-10(16-2)15-11(14-9)18-7-8-3-5-17-6-4-8/h8H,3-7H2,1-2H3,(H,12,13,14,15)
InChIKeyMXQKVVMOWDOPRU-UHFFFAOYSA-N
XLogP0.73
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(cyclopropylmethoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80867582
4-(cyclopropylmethoxy)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 80867578
[4-(cyclopropylmethoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80913506
4-(cyclopropylmethoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80865430
4-ethoxy-6-(oxan-4-ylmethoxy)-1,3,5-triazin-2-amine
CID 80878655
4,6-dimethoxy-N-(oxan-4-yl)-1,3,5-triazin-2-amine
CID 62861073
4-chloro-6-(oxan-4-ylmethoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80879481
[4-methoxy-6-[(3-methylcyclohexyl)methoxy]-1,3,5-triazin-2-yl]hydrazine
CID 114197438
4-methoxy-6-(3-methoxypropoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80866297
4-(2,2-difluoroethoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 82009818
N-methyl-6-(oxolan-3-ylmethoxy)-7H-purin-2-amine
CID 114787546
2-N,2-N,4-N-trimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine
CID 80860494

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-6-(oxan-4-ylmethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-N-methyl-6-(oxan-4-ylmethoxy)-1,3,5-triazin-2-amine (CID 80880671) is 4-methoxy-N-methyl-6-(oxan-4-ylmethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-N-methyl-6-(oxan-4-ylmethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-N-methyl-6-(oxan-4-ylmethoxy)-1,3,5-triazin-2-amine is CNc1nc(OC)nc(OCC2CCOCC2)n1.
What is the InChIKey of 4-methoxy-N-methyl-6-(oxan-4-ylmethoxy)-1,3,5-triazin-2-amine?
The InChIKey is MXQKVVMOWDOPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-12-9-13-10(16-2)15-11(14-9)18-7-8-3-5-17-6-4-8/h8H,3-7H2,1-2H3,(H,12,13,14,15).
What are the key properties of 4-methoxy-N-methyl-6-(oxan-4-ylmethoxy)-1,3,5-triazin-2-amine?
4-methoxy-N-methyl-6-(oxan-4-ylmethoxy)-1,3,5-triazin-2-amine has a molecular weight of 254.29 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-6-(oxan-4-ylmethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80880671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).