5-methoxy-2-pyrrolidin-3-ylpyrimidine

C9H13N3O — CID 58171552

IUPAC5-methoxy-2-pyrrolidin-3-ylpyrimidine
SMILESCOc1cnc(C2CCNC2)nc1
InChIInChI=1S/C9H13N3O/c1-13-8-5-11-9(12-6-8)7-2-3-10-4-7/h5-7,10H,2-4H2,1H3
InChIKeyMNHKVIZEWXXSKG-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.56
Rot. Bonds2

About 5-methoxy-2-pyrrolidin-3-ylpyrimidine

5-methoxy-2-pyrrolidin-3-ylpyrimidine (PubChem CID 58171552) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-methoxy-2-pyrrolidin-3-ylpyrimidine.

Molecular Properties

Compound Name5-methoxy-2-pyrrolidin-3-ylpyrimidine
PubChem CID58171552
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name5-methoxy-2-pyrrolidin-3-ylpyrimidine
SMILESCOc1cnc(C2CCNC2)nc1
InChIInChI=1S/C9H13N3O/c1-13-8-5-11-9(12-6-8)7-2-3-10-4-7/h5-7,10H,2-4H2,1H3
InChIKeyMNHKVIZEWXXSKG-UHFFFAOYSA-N
XLogP0.56
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-pyrrolidin-3-ylpyrimidine?
The IUPAC name of 5-methoxy-2-pyrrolidin-3-ylpyrimidine (CID 58171552) is 5-methoxy-2-pyrrolidin-3-ylpyrimidine.
What is the SMILES notation for 5-methoxy-2-pyrrolidin-3-ylpyrimidine?
The canonical SMILES for 5-methoxy-2-pyrrolidin-3-ylpyrimidine is COc1cnc(C2CCNC2)nc1.
What is the InChIKey of 5-methoxy-2-pyrrolidin-3-ylpyrimidine?
The InChIKey is MNHKVIZEWXXSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-13-8-5-11-9(12-6-8)7-2-3-10-4-7/h5-7,10H,2-4H2,1H3.
What are the key properties of 5-methoxy-2-pyrrolidin-3-ylpyrimidine?
5-methoxy-2-pyrrolidin-3-ylpyrimidine has a molecular weight of 179.22 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-pyrrolidin-3-ylpyrimidine is sourced from PubChem (CID 58171552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).