[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylpiperazin-2-yl]methanamine

C11H20N6O2 — CID 80506488

IUPAC[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylpiperazin-2-yl]methanamine
SMILESCOc1nc(OC)nc(N2CCN(C)CC2CN)n1
InChIInChI=1S/C11H20N6O2/c1-16-4-5-17(8(6-12)7-16)9-13-10(18-2)15-11(14-9)19-3/h8H,4-7,12H2,1-3H3
InChIKeyVJBKWMCDCROKNB-UHFFFAOYSA-N
MW268.32 g/mol
LogP-1.03
Rot. Bonds4

About [1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylpiperazin-2-yl]methanamine

[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylpiperazin-2-yl]methanamine (PubChem CID 80506488) has the molecular formula C11H20N6O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is [1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylpiperazin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylpiperazin-2-yl]methanamine
PubChem CID80506488
Molecular FormulaC11H20N6O2
Molecular Weight268.32 g/mol
Exact Mass268.16
IUPAC Name[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylpiperazin-2-yl]methanamine
SMILESCOc1nc(OC)nc(N2CCN(C)CC2CN)n1
InChIInChI=1S/C11H20N6O2/c1-16-4-5-17(8(6-12)7-16)9-13-10(18-2)15-11(14-9)19-3/h8H,4-7,12H2,1-3H3
InChIKeyVJBKWMCDCROKNB-UHFFFAOYSA-N
XLogP-1.03
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylpiperazin-2-yl]methanamine?
The IUPAC name of [1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylpiperazin-2-yl]methanamine (CID 80506488) is [1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylpiperazin-2-yl]methanamine.
What is the SMILES notation for [1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylpiperazin-2-yl]methanamine?
The canonical SMILES for [1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylpiperazin-2-yl]methanamine is COc1nc(OC)nc(N2CCN(C)CC2CN)n1.
What is the InChIKey of [1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylpiperazin-2-yl]methanamine?
The InChIKey is VJBKWMCDCROKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2/c1-16-4-5-17(8(6-12)7-16)9-13-10(18-2)15-11(14-9)19-3/h8H,4-7,12H2,1-3H3.
What are the key properties of [1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylpiperazin-2-yl]methanamine?
[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylpiperazin-2-yl]methanamine has a molecular weight of 268.32 g/mol, XLogP of -1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylpiperazin-2-yl]methanamine is sourced from PubChem (CID 80506488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).