3-[(2R)-5-methyloxolan-2-yl]-6-(4-propoxyphenyl)furo[2,3-d]pyrimidin-2-one

C20H22N2O4 — CID 70845077

IUPAC3-[(2R)-5-methyloxolan-2-yl]-6-(4-propoxyphenyl)furo[2,3-d]pyrimidin-2-one
SMILESCCCOc1ccc(-c2cc3cn([C@H]4CCC(C)O4)c(=O)nc3o2)cc1
InChIInChI=1S/C20H22N2O4/c1-3-10-24-16-7-5-14(6-8-16)17-11-15-12-22(18-9-4-13(2)25-18)20(23)21-19(15)26-17/h5-8,11-13,18H,3-4,9-10H2,1-2H3/t13?,18-/m1/s1
InChIKeyWKRPULHBJFUNNT-PQJIZZRHSA-N
MW354.41 g/mol
LogP4.14
Rot. Bonds5

About 3-[(2R)-5-methyloxolan-2-yl]-6-(4-propoxyphenyl)furo[2,3-d]pyrimidin-2-one

3-[(2R)-5-methyloxolan-2-yl]-6-(4-propoxyphenyl)furo[2,3-d]pyrimidin-2-one (PubChem CID 70845077) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[(2R)-5-methyloxolan-2-yl]-6-(4-propoxyphenyl)furo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name3-[(2R)-5-methyloxolan-2-yl]-6-(4-propoxyphenyl)furo[2,3-d]pyrimidin-2-one
PubChem CID70845077
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3-[(2R)-5-methyloxolan-2-yl]-6-(4-propoxyphenyl)furo[2,3-d]pyrimidin-2-one
SMILESCCCOc1ccc(-c2cc3cn([C@H]4CCC(C)O4)c(=O)nc3o2)cc1
InChIInChI=1S/C20H22N2O4/c1-3-10-24-16-7-5-14(6-8-16)17-11-15-12-22(18-9-4-13(2)25-18)20(23)21-19(15)26-17/h5-8,11-13,18H,3-4,9-10H2,1-2H3/t13?,18-/m1/s1
InChIKeyWKRPULHBJFUNNT-PQJIZZRHSA-N
XLogP4.14
TPSA66.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-5-methyloxolan-2-yl]-6-(4-propoxyphenyl)furo[2,3-d]pyrimidin-2-one?
The IUPAC name of 3-[(2R)-5-methyloxolan-2-yl]-6-(4-propoxyphenyl)furo[2,3-d]pyrimidin-2-one (CID 70845077) is 3-[(2R)-5-methyloxolan-2-yl]-6-(4-propoxyphenyl)furo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 3-[(2R)-5-methyloxolan-2-yl]-6-(4-propoxyphenyl)furo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 3-[(2R)-5-methyloxolan-2-yl]-6-(4-propoxyphenyl)furo[2,3-d]pyrimidin-2-one is CCCOc1ccc(-c2cc3cn([C@H]4CCC(C)O4)c(=O)nc3o2)cc1.
What is the InChIKey of 3-[(2R)-5-methyloxolan-2-yl]-6-(4-propoxyphenyl)furo[2,3-d]pyrimidin-2-one?
The InChIKey is WKRPULHBJFUNNT-PQJIZZRHSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-10-24-16-7-5-14(6-8-16)17-11-15-12-22(18-9-4-13(2)25-18)20(23)21-19(15)26-17/h5-8,11-13,18H,3-4,9-10H2,1-2H3/t13?,18-/m1/s1.
What are the key properties of 3-[(2R)-5-methyloxolan-2-yl]-6-(4-propoxyphenyl)furo[2,3-d]pyrimidin-2-one?
3-[(2R)-5-methyloxolan-2-yl]-6-(4-propoxyphenyl)furo[2,3-d]pyrimidin-2-one has a molecular weight of 354.41 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-5-methyloxolan-2-yl]-6-(4-propoxyphenyl)furo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 70845077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).