3-benzylfuro[2,3-d]pyrimidin-2-one;butane;propane

C20H28N2O2 — CID 142177938

IUPAC3-benzylfuro[2,3-d]pyrimidin-2-one;butane;propane
SMILESCCC.CCCC.O=c1nc2occc2cn1Cc1ccccc1
InChIInChI=1S/C13H10N2O2.C4H10.C3H8/c16-13-14-12-11(6-7-17-12)9-15(13)8-10-4-2-1-3-5-10;1-3-4-2;1-3-2/h1-7,9H,8H2;3-4H2,1-2H3;3H2,1-2H3
InChIKeyNUXFVZAMFDHSOJ-UHFFFAOYSA-N
MW328.46 g/mol
LogP5.26
Rot. Bonds3

About 3-benzylfuro[2,3-d]pyrimidin-2-one;butane;propane

3-benzylfuro[2,3-d]pyrimidin-2-one;butane;propane (PubChem CID 142177938) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-benzylfuro[2,3-d]pyrimidin-2-one;butane;propane.

Molecular Properties

Compound Name3-benzylfuro[2,3-d]pyrimidin-2-one;butane;propane
PubChem CID142177938
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name3-benzylfuro[2,3-d]pyrimidin-2-one;butane;propane
SMILESCCC.CCCC.O=c1nc2occc2cn1Cc1ccccc1
InChIInChI=1S/C13H10N2O2.C4H10.C3H8/c16-13-14-12-11(6-7-17-12)9-15(13)8-10-4-2-1-3-5-10;1-3-4-2;1-3-2/h1-7,9H,8H2;3-4H2,1-2H3;3H2,1-2H3
InChIKeyNUXFVZAMFDHSOJ-UHFFFAOYSA-N
XLogP5.26
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzylfuro[2,3-d]pyrimidin-2-one;butane;propane?
The IUPAC name of 3-benzylfuro[2,3-d]pyrimidin-2-one;butane;propane (CID 142177938) is 3-benzylfuro[2,3-d]pyrimidin-2-one;butane;propane.
What is the SMILES notation for 3-benzylfuro[2,3-d]pyrimidin-2-one;butane;propane?
The canonical SMILES for 3-benzylfuro[2,3-d]pyrimidin-2-one;butane;propane is CCC.CCCC.O=c1nc2occc2cn1Cc1ccccc1.
What is the InChIKey of 3-benzylfuro[2,3-d]pyrimidin-2-one;butane;propane?
The InChIKey is NUXFVZAMFDHSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2.C4H10.C3H8/c16-13-14-12-11(6-7-17-12)9-15(13)8-10-4-2-1-3-5-10;1-3-4-2;1-3-2/h1-7,9H,8H2;3-4H2,1-2H3;3H2,1-2H3.
What are the key properties of 3-benzylfuro[2,3-d]pyrimidin-2-one;butane;propane?
3-benzylfuro[2,3-d]pyrimidin-2-one;butane;propane has a molecular weight of 328.46 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylfuro[2,3-d]pyrimidin-2-one;butane;propane is sourced from PubChem (CID 142177938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).