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

C10H17N5O3 — CID 104767448

IUPAC6-methoxy-2-N-[(3-methoxyoxolan-3-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NCC2(OC)CCOC2)n1
InChIInChI=1S/C10H17N5O3/c1-16-9-14-7(11)13-8(15-9)12-5-10(17-2)3-4-18-6-10/h3-6H2,1-2H3,(H3,11,12,13,14,15)
InChIKeyIBSPFNWFNPDLOG-UHFFFAOYSA-N
MW255.28 g/mol
LogP-0.32
Rot. Bonds5

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

6-methoxy-2-N-[(3-methoxyoxolan-3-yl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 104767448) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-methoxy-2-N-[(3-methoxyoxolan-3-yl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-[(3-methoxyoxolan-3-yl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID104767448
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name6-methoxy-2-N-[(3-methoxyoxolan-3-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NCC2(OC)CCOC2)n1
InChIInChI=1S/C10H17N5O3/c1-16-9-14-7(11)13-8(15-9)12-5-10(17-2)3-4-18-6-10/h3-6H2,1-2H3,(H3,11,12,13,14,15)
InChIKeyIBSPFNWFNPDLOG-UHFFFAOYSA-N
XLogP-0.32
TPSA104.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-[(3-methoxyoxolan-3-yl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-2-N-[(3-methoxyoxolan-3-yl)methyl]-1,3,5-triazine-2,4-diamine (CID 104767448) is 6-methoxy-2-N-[(3-methoxyoxolan-3-yl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-2-N-[(3-methoxyoxolan-3-yl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-2-N-[(3-methoxyoxolan-3-yl)methyl]-1,3,5-triazine-2,4-diamine is COc1nc(N)nc(NCC2(OC)CCOC2)n1.
What is the InChIKey of 6-methoxy-2-N-[(3-methoxyoxolan-3-yl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is IBSPFNWFNPDLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-16-9-14-7(11)13-8(15-9)12-5-10(17-2)3-4-18-6-10/h3-6H2,1-2H3,(H3,11,12,13,14,15).
What are the key properties of 6-methoxy-2-N-[(3-methoxyoxolan-3-yl)methyl]-1,3,5-triazine-2,4-diamine?
6-methoxy-2-N-[(3-methoxyoxolan-3-yl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 255.28 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-[(3-methoxyoxolan-3-yl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 104767448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).