6-ethoxy-4-N-methyl-2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine

C13H24N6O — CID 80800577

IUPAC6-ethoxy-4-N-methyl-2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(NC(C)CN2CCCC2)n1
InChIInChI=1S/C13H24N6O/c1-4-20-13-17-11(14-3)16-12(18-13)15-10(2)9-19-7-5-6-8-19/h10H,4-9H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyNISQAZPHFKKEBT-UHFFFAOYSA-N
MW280.38 g/mol
LogP1.21
Rot. Bonds7

About 6-ethoxy-4-N-methyl-2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine

6-ethoxy-4-N-methyl-2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80800577) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 6-ethoxy-4-N-methyl-2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-methyl-2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80800577
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name6-ethoxy-4-N-methyl-2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(NC(C)CN2CCCC2)n1
InChIInChI=1S/C13H24N6O/c1-4-20-13-17-11(14-3)16-12(18-13)15-10(2)9-19-7-5-6-8-19/h10H,4-9H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyNISQAZPHFKKEBT-UHFFFAOYSA-N
XLogP1.21
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-ethoxy-4-N-methyl-2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-chloro-4-N-methyl-2-N-(1-piperidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80801538
4-ethoxy-6-hydrazinyl-N-(1-morpholin-4-ylpropan-2-yl)-1,3,5-triazin-2-amine
CID 80901228
6-methoxy-2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80800739
2-N-butan-2-yl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80765920
4-chloro-6-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3,5-triazin-2-amine
CID 62994572
6-hydrazinyl-4-N,4-N-dimethyl-2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80896860
2-N-[1-(2-chlorophenyl)ethyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80784410
2-N-methyl-6-N-(1-piperidin-1-ylpropan-2-yl)-7H-purine-2,6-diamine
CID 114784296
4,6-dimethoxy-N-(1-morpholin-4-ylpropan-2-yl)-1,3,5-triazin-2-amine
CID 62861950
4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-2-amine
CID 62959456
6-ethoxy-4-N-methyl-2-N-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 83027141
6-ethoxy-4-N-methyl-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80781075

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-methyl-2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-4-N-methyl-2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine (CID 80800577) is 6-ethoxy-4-N-methyl-2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-4-N-methyl-2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-4-N-methyl-2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine is CCOc1nc(NC)nc(NC(C)CN2CCCC2)n1.
What is the InChIKey of 6-ethoxy-4-N-methyl-2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is NISQAZPHFKKEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-4-20-13-17-11(14-3)16-12(18-13)15-10(2)9-19-7-5-6-8-19/h10H,4-9H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of 6-ethoxy-4-N-methyl-2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
6-ethoxy-4-N-methyl-2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 280.38 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-methyl-2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80800577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).