4-(2-methoxyphenoxy)-6-pyrrolidin-1-ylpyrimidine

C15H17N3O2 — CID 24716879

IUPAC4-(2-methoxyphenoxy)-6-pyrrolidin-1-ylpyrimidine
SMILESCOc1ccccc1Oc1cc(N2CCCC2)ncn1
InChIInChI=1S/C15H17N3O2/c1-19-12-6-2-3-7-13(12)20-15-10-14(16-11-17-15)18-8-4-5-9-18/h2-3,6-7,10-11H,4-5,8-9H2,1H3
InChIKeyISGAHHZTVQOICG-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.88
Rot. Bonds4

About 4-(2-methoxyphenoxy)-6-pyrrolidin-1-ylpyrimidine

4-(2-methoxyphenoxy)-6-pyrrolidin-1-ylpyrimidine (PubChem CID 24716879) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-(2-methoxyphenoxy)-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(2-methoxyphenoxy)-6-pyrrolidin-1-ylpyrimidine
PubChem CID24716879
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-(2-methoxyphenoxy)-6-pyrrolidin-1-ylpyrimidine
SMILESCOc1ccccc1Oc1cc(N2CCCC2)ncn1
InChIInChI=1S/C15H17N3O2/c1-19-12-6-2-3-7-13(12)20-15-10-14(16-11-17-15)18-8-4-5-9-18/h2-3,6-7,10-11H,4-5,8-9H2,1H3
InChIKeyISGAHHZTVQOICG-UHFFFAOYSA-N
XLogP2.88
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenoxy)-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-(2-methoxyphenoxy)-6-pyrrolidin-1-ylpyrimidine (CID 24716879) is 4-(2-methoxyphenoxy)-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-(2-methoxyphenoxy)-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-(2-methoxyphenoxy)-6-pyrrolidin-1-ylpyrimidine is COc1ccccc1Oc1cc(N2CCCC2)ncn1.
What is the InChIKey of 4-(2-methoxyphenoxy)-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is ISGAHHZTVQOICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-19-12-6-2-3-7-13(12)20-15-10-14(16-11-17-15)18-8-4-5-9-18/h2-3,6-7,10-11H,4-5,8-9H2,1H3.
What are the key properties of 4-(2-methoxyphenoxy)-6-pyrrolidin-1-ylpyrimidine?
4-(2-methoxyphenoxy)-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 271.32 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenoxy)-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 24716879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).