2-N-methyl-2-N-(oxan-4-yl)-6-propoxy-1,3,5-triazine-2,4-diamine

C12H21N5O2 — CID 80789115

IUPAC2-N-methyl-2-N-(oxan-4-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(N(C)C2CCOCC2)n1
InChIInChI=1S/C12H21N5O2/c1-3-6-19-12-15-10(13)14-11(16-12)17(2)9-4-7-18-8-5-9/h9H,3-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyBMJHAXYXTQYDKP-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.86
Rot. Bonds5

About 2-N-methyl-2-N-(oxan-4-yl)-6-propoxy-1,3,5-triazine-2,4-diamine

2-N-methyl-2-N-(oxan-4-yl)-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80789115) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-N-methyl-2-N-(oxan-4-yl)-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(oxan-4-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80789115
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-N-methyl-2-N-(oxan-4-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(N(C)C2CCOCC2)n1
InChIInChI=1S/C12H21N5O2/c1-3-6-19-12-15-10(13)14-11(16-12)17(2)9-4-7-18-8-5-9/h9H,3-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyBMJHAXYXTQYDKP-UHFFFAOYSA-N
XLogP0.86
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(oxan-4-yl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-methyl-2-N-(oxan-4-yl)-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80789115) is 2-N-methyl-2-N-(oxan-4-yl)-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(oxan-4-yl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-methyl-2-N-(oxan-4-yl)-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(N)nc(N(C)C2CCOCC2)n1.
What is the InChIKey of 2-N-methyl-2-N-(oxan-4-yl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is BMJHAXYXTQYDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-3-6-19-12-15-10(13)14-11(16-12)17(2)9-4-7-18-8-5-9/h9H,3-8H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-N-methyl-2-N-(oxan-4-yl)-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N-methyl-2-N-(oxan-4-yl)-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 267.33 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(oxan-4-yl)-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80789115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).