4-methoxy-6-(1-pyrrolidin-3-ylethyl)pyrimidine

C11H17N3O — CID 139490830

IUPAC4-methoxy-6-(1-pyrrolidin-3-ylethyl)pyrimidine
SMILESCOc1cc(C(C)C2CCNC2)ncn1
InChIInChI=1S/C11H17N3O/c1-8(9-3-4-12-6-9)10-5-11(15-2)14-7-13-10/h5,7-9,12H,3-4,6H2,1-2H3
InChIKeyPDXJYYABTRNRKG-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.20
Rot. Bonds3

About 4-methoxy-6-(1-pyrrolidin-3-ylethyl)pyrimidine

4-methoxy-6-(1-pyrrolidin-3-ylethyl)pyrimidine (PubChem CID 139490830) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-methoxy-6-(1-pyrrolidin-3-ylethyl)pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-(1-pyrrolidin-3-ylethyl)pyrimidine
PubChem CID139490830
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-methoxy-6-(1-pyrrolidin-3-ylethyl)pyrimidine
SMILESCOc1cc(C(C)C2CCNC2)ncn1
InChIInChI=1S/C11H17N3O/c1-8(9-3-4-12-6-9)10-5-11(15-2)14-7-13-10/h5,7-9,12H,3-4,6H2,1-2H3
InChIKeyPDXJYYABTRNRKG-UHFFFAOYSA-N
XLogP1.20
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(1-pyrrolidin-3-ylethyl)pyrimidine?
The IUPAC name of 4-methoxy-6-(1-pyrrolidin-3-ylethyl)pyrimidine (CID 139490830) is 4-methoxy-6-(1-pyrrolidin-3-ylethyl)pyrimidine.
What is the SMILES notation for 4-methoxy-6-(1-pyrrolidin-3-ylethyl)pyrimidine?
The canonical SMILES for 4-methoxy-6-(1-pyrrolidin-3-ylethyl)pyrimidine is COc1cc(C(C)C2CCNC2)ncn1.
What is the InChIKey of 4-methoxy-6-(1-pyrrolidin-3-ylethyl)pyrimidine?
The InChIKey is PDXJYYABTRNRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(9-3-4-12-6-9)10-5-11(15-2)14-7-13-10/h5,7-9,12H,3-4,6H2,1-2H3.
What are the key properties of 4-methoxy-6-(1-pyrrolidin-3-ylethyl)pyrimidine?
4-methoxy-6-(1-pyrrolidin-3-ylethyl)pyrimidine has a molecular weight of 207.28 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(1-pyrrolidin-3-ylethyl)pyrimidine is sourced from PubChem (CID 139490830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).