[4-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-2-yl]hydrazine

C10H17N5O2 — CID 103542149

IUPAC[4-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-2-yl]hydrazine
SMILESCOC1CN(c2ccnc(NN)n2)CC1OC
InChIInChI=1S/C10H17N5O2/c1-16-7-5-15(6-8(7)17-2)9-3-4-12-10(13-9)14-11/h3-4,7-8H,5-6,11H2,1-2H3,(H,12,13,14)
InChIKeyXTJMGZLFBGESLA-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.39
Rot. Bonds4

About [4-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-2-yl]hydrazine

[4-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-2-yl]hydrazine (PubChem CID 103542149) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is [4-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-2-yl]hydrazine
PubChem CID103542149
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name[4-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-2-yl]hydrazine
SMILESCOC1CN(c2ccnc(NN)n2)CC1OC
InChIInChI=1S/C10H17N5O2/c1-16-7-5-15(6-8(7)17-2)9-3-4-12-10(13-9)14-11/h3-4,7-8H,5-6,11H2,1-2H3,(H,12,13,14)
InChIKeyXTJMGZLFBGESLA-UHFFFAOYSA-N
XLogP-0.39
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-2-yl]hydrazine (CID 103542149) is [4-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-2-yl]hydrazine is COC1CN(c2ccnc(NN)n2)CC1OC.
What is the InChIKey of [4-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-2-yl]hydrazine?
The InChIKey is XTJMGZLFBGESLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-16-7-5-15(6-8(7)17-2)9-3-4-12-10(13-9)14-11/h3-4,7-8H,5-6,11H2,1-2H3,(H,12,13,14).
What are the key properties of [4-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-2-yl]hydrazine?
[4-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-2-yl]hydrazine has a molecular weight of 239.28 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 103542149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).