4,6-dimethoxy-N-[(3S)-pyrrolidin-3-yl]-1,3,5-triazin-2-amine

C9H15N5O2 — CID 94882322

IUPAC4,6-dimethoxy-N-[(3S)-pyrrolidin-3-yl]-1,3,5-triazin-2-amine
SMILESCOc1nc(N[C@H]2CCNC2)nc(OC)n1
InChIInChI=1S/C9H15N5O2/c1-15-8-12-7(13-9(14-8)16-2)11-6-3-4-10-5-6/h6,10H,3-5H2,1-2H3,(H,11,12,13,14)/t6-/m0/s1
InChIKeyWDCBNUVRSAPSEG-LURJTMIESA-N
MW225.25 g/mol
LogP-0.34
Rot. Bonds4

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

4,6-dimethoxy-N-[(3S)-pyrrolidin-3-yl]-1,3,5-triazin-2-amine (PubChem CID 94882322) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4,6-dimethoxy-N-[(3S)-pyrrolidin-3-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-[(3S)-pyrrolidin-3-yl]-1,3,5-triazin-2-amine
PubChem CID94882322
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name4,6-dimethoxy-N-[(3S)-pyrrolidin-3-yl]-1,3,5-triazin-2-amine
SMILESCOc1nc(N[C@H]2CCNC2)nc(OC)n1
InChIInChI=1S/C9H15N5O2/c1-15-8-12-7(13-9(14-8)16-2)11-6-3-4-10-5-6/h6,10H,3-5H2,1-2H3,(H,11,12,13,14)/t6-/m0/s1
InChIKeyWDCBNUVRSAPSEG-LURJTMIESA-N
XLogP-0.34
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-[(3S)-pyrrolidin-3-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-[(3S)-pyrrolidin-3-yl]-1,3,5-triazin-2-amine (CID 94882322) is 4,6-dimethoxy-N-[(3S)-pyrrolidin-3-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-[(3S)-pyrrolidin-3-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-[(3S)-pyrrolidin-3-yl]-1,3,5-triazin-2-amine is COc1nc(N[C@H]2CCNC2)nc(OC)n1.
What is the InChIKey of 4,6-dimethoxy-N-[(3S)-pyrrolidin-3-yl]-1,3,5-triazin-2-amine?
The InChIKey is WDCBNUVRSAPSEG-LURJTMIESA-N. The full InChI is InChI=1S/C9H15N5O2/c1-15-8-12-7(13-9(14-8)16-2)11-6-3-4-10-5-6/h6,10H,3-5H2,1-2H3,(H,11,12,13,14)/t6-/m0/s1.
What are the key properties of 4,6-dimethoxy-N-[(3S)-pyrrolidin-3-yl]-1,3,5-triazin-2-amine?
4,6-dimethoxy-N-[(3S)-pyrrolidin-3-yl]-1,3,5-triazin-2-amine has a molecular weight of 225.25 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-[(3S)-pyrrolidin-3-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 94882322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).