6-methoxy-4-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine

C12H22N6O — CID 80830863

IUPAC6-methoxy-4-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCCCN2CCCC2)nc(OC)n1
InChIInChI=1S/C12H22N6O/c1-13-10-15-11(17-12(16-10)19-2)14-6-5-9-18-7-3-4-8-18/h3-9H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyHBSKDTSUYLUAHO-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.82
Rot. Bonds7

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

6-methoxy-4-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80830863) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 6-methoxy-4-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-4-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
PubChem CID80830863
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name6-methoxy-4-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCCCN2CCCC2)nc(OC)n1
InChIInChI=1S/C12H22N6O/c1-13-10-15-11(17-12(16-10)19-2)14-6-5-9-18-7-3-4-8-18/h3-9H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyHBSKDTSUYLUAHO-UHFFFAOYSA-N
XLogP0.82
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-methoxy-4-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-methoxy-4-N-methyl-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80777051
2-N-butyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80785433
4-N-hexyl-6-N-methyl-2-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 167281303
azane;6-N-methyl-2-N-(3-morpholin-4-ylpropyl)-4-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 91085436
6-propan-2-yloxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 80830703
6-methoxy-4-N-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine
CID 106042094
2-[3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol
CID 106311525
4,6-dimethoxy-5-N-methyl-2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
CID 143380800
6-methoxy-4-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80785763
6-[4-[4,6-bis(3-piperidin-1-ylpropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(3-piperidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 54011673
2-N-(3-methoxypropyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80772736
2-N-(2-butoxyethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80819040

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-4-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine (CID 80830863) is 6-methoxy-4-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-4-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-4-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine is CNc1nc(NCCCN2CCCC2)nc(OC)n1.
What is the InChIKey of 6-methoxy-4-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HBSKDTSUYLUAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-13-10-15-11(17-12(16-10)19-2)14-6-5-9-18-7-3-4-8-18/h3-9H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 6-methoxy-4-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine?
6-methoxy-4-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 266.35 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80830863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).