4-ethyl-2-methoxy-6-pyrrolidin-1-ylpyrimidine

C11H17N3O — CID 178092241

IUPAC4-ethyl-2-methoxy-6-pyrrolidin-1-ylpyrimidine
SMILESCCc1cc(N2CCCC2)nc(OC)n1
InChIInChI=1S/C11H17N3O/c1-3-9-8-10(13-11(12-9)15-2)14-6-4-5-7-14/h8H,3-7H2,1-2H3
InChIKeyCBGSJEKBAIKHAE-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.65
Rot. Bonds3

About 4-ethyl-2-methoxy-6-pyrrolidin-1-ylpyrimidine

4-ethyl-2-methoxy-6-pyrrolidin-1-ylpyrimidine (PubChem CID 178092241) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-ethyl-2-methoxy-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-ethyl-2-methoxy-6-pyrrolidin-1-ylpyrimidine
PubChem CID178092241
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-ethyl-2-methoxy-6-pyrrolidin-1-ylpyrimidine
SMILESCCc1cc(N2CCCC2)nc(OC)n1
InChIInChI=1S/C11H17N3O/c1-3-9-8-10(13-11(12-9)15-2)14-6-4-5-7-14/h8H,3-7H2,1-2H3
InChIKeyCBGSJEKBAIKHAE-UHFFFAOYSA-N
XLogP1.65
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methoxy-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-ethyl-2-methoxy-6-pyrrolidin-1-ylpyrimidine (CID 178092241) is 4-ethyl-2-methoxy-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-ethyl-2-methoxy-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-ethyl-2-methoxy-6-pyrrolidin-1-ylpyrimidine is CCc1cc(N2CCCC2)nc(OC)n1.
What is the InChIKey of 4-ethyl-2-methoxy-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is CBGSJEKBAIKHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-9-8-10(13-11(12-9)15-2)14-6-4-5-7-14/h8H,3-7H2,1-2H3.
What are the key properties of 4-ethyl-2-methoxy-6-pyrrolidin-1-ylpyrimidine?
4-ethyl-2-methoxy-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 207.28 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methoxy-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 178092241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).