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

C10H17N5O2 — CID 82745541

IUPAC6-methoxy-2-N-methyl-2-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(N(C)C2CCOC2C)n1
InChIInChI=1S/C10H17N5O2/c1-6-7(4-5-17-6)15(2)9-12-8(11)13-10(14-9)16-3/h6-7H,4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyKRZISXISNSHJRL-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.08
Rot. Bonds3

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

6-methoxy-2-N-methyl-2-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 82745541) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 6-methoxy-2-N-methyl-2-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-methyl-2-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine
PubChem CID82745541
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name6-methoxy-2-N-methyl-2-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(N(C)C2CCOC2C)n1
InChIInChI=1S/C10H17N5O2/c1-6-7(4-5-17-6)15(2)9-12-8(11)13-10(14-9)16-3/h6-7H,4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyKRZISXISNSHJRL-UHFFFAOYSA-N
XLogP0.08
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-methyl-2-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-2-N-methyl-2-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine (CID 82745541) is 6-methoxy-2-N-methyl-2-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-2-N-methyl-2-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-2-N-methyl-2-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine is COc1nc(N)nc(N(C)C2CCOC2C)n1.
What is the InChIKey of 6-methoxy-2-N-methyl-2-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is KRZISXISNSHJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-6-7(4-5-17-6)15(2)9-12-8(11)13-10(14-9)16-3/h6-7H,4-5H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 6-methoxy-2-N-methyl-2-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine?
6-methoxy-2-N-methyl-2-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 239.28 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-methyl-2-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 82745541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).