1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine

C9H15N5O2 — CID 62862480

IUPAC1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine
SMILESCOc1nc(OC)nc(N2CCC(N)C2)n1
InChIInChI=1S/C9H15N5O2/c1-15-8-11-7(12-9(13-8)16-2)14-4-3-6(10)5-14/h6H,3-5,10H2,1-2H3
InChIKeyGKZSNYXCCAEGRX-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.57
Rot. Bonds3

About 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine

1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine (PubChem CID 62862480) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine
PubChem CID62862480
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine
SMILESCOc1nc(OC)nc(N2CCC(N)C2)n1
InChIInChI=1S/C9H15N5O2/c1-15-8-11-7(12-9(13-8)16-2)14-4-3-6(10)5-14/h6H,3-5,10H2,1-2H3
InChIKeyGKZSNYXCCAEGRX-UHFFFAOYSA-N
XLogP-0.57
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine (CID 62862480) is 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine is COc1nc(OC)nc(N2CCC(N)C2)n1.
What is the InChIKey of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine?
The InChIKey is GKZSNYXCCAEGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-15-8-11-7(12-9(13-8)16-2)14-4-3-6(10)5-14/h6H,3-5,10H2,1-2H3.
What are the key properties of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine?
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine has a molecular weight of 225.25 g/mol, XLogP of -0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 62862480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).