4,6-dimethoxy-2-pyrrolidin-1-ylpyrimidine

C10H15N3O2 — CID 90342261

IUPAC4,6-dimethoxy-2-pyrrolidin-1-ylpyrimidine
SMILESCOc1cc(OC)nc(N2CCCC2)n1
InChIInChI=1S/C10H15N3O2/c1-14-8-7-9(15-2)12-10(11-8)13-5-3-4-6-13/h7H,3-6H2,1-2H3
InChIKeyIUCAAQGQUAOZTE-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.09
Rot. Bonds3

About 4,6-dimethoxy-2-pyrrolidin-1-ylpyrimidine

4,6-dimethoxy-2-pyrrolidin-1-ylpyrimidine (PubChem CID 90342261) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4,6-dimethoxy-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-2-pyrrolidin-1-ylpyrimidine
PubChem CID90342261
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4,6-dimethoxy-2-pyrrolidin-1-ylpyrimidine
SMILESCOc1cc(OC)nc(N2CCCC2)n1
InChIInChI=1S/C10H15N3O2/c1-14-8-7-9(15-2)12-10(11-8)13-5-3-4-6-13/h7H,3-6H2,1-2H3
InChIKeyIUCAAQGQUAOZTE-UHFFFAOYSA-N
XLogP1.09
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4,6-dimethoxy-2-pyrrolidin-1-ylpyrimidine (CID 90342261) is 4,6-dimethoxy-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4,6-dimethoxy-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4,6-dimethoxy-2-pyrrolidin-1-ylpyrimidine is COc1cc(OC)nc(N2CCCC2)n1.
What is the InChIKey of 4,6-dimethoxy-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is IUCAAQGQUAOZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-14-8-7-9(15-2)12-10(11-8)13-5-3-4-6-13/h7H,3-6H2,1-2H3.
What are the key properties of 4,6-dimethoxy-2-pyrrolidin-1-ylpyrimidine?
4,6-dimethoxy-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 209.25 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 90342261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).