2-tert-butyl-6-methylidene-7-propan-2-ylpyrano[3,2-d]pyrimidin-8-one

C15H20N2O2 — CID 59802840

IUPAC2-tert-butyl-6-methylidene-7-propan-2-ylpyrano[3,2-d]pyrimidin-8-one
SMILESC=C1Oc2cnc(C(C)(C)C)nc2C(=O)C1C(C)C
InChIInChI=1S/C15H20N2O2/c1-8(2)11-9(3)19-10-7-16-14(15(4,5)6)17-12(10)13(11)18/h7-8,11H,3H2,1-2,4-6H3
InChIKeyBHONZIYZDLFMNT-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.14
Rot. Bonds1

About 2-tert-butyl-6-methylidene-7-propan-2-ylpyrano[3,2-d]pyrimidin-8-one

2-tert-butyl-6-methylidene-7-propan-2-ylpyrano[3,2-d]pyrimidin-8-one (PubChem CID 59802840) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-tert-butyl-6-methylidene-7-propan-2-ylpyrano[3,2-d]pyrimidin-8-one.

Molecular Properties

Compound Name2-tert-butyl-6-methylidene-7-propan-2-ylpyrano[3,2-d]pyrimidin-8-one
PubChem CID59802840
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-tert-butyl-6-methylidene-7-propan-2-ylpyrano[3,2-d]pyrimidin-8-one
SMILESC=C1Oc2cnc(C(C)(C)C)nc2C(=O)C1C(C)C
InChIInChI=1S/C15H20N2O2/c1-8(2)11-9(3)19-10-7-16-14(15(4,5)6)17-12(10)13(11)18/h7-8,11H,3H2,1-2,4-6H3
InChIKeyBHONZIYZDLFMNT-UHFFFAOYSA-N
XLogP3.14
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methylidene-7-propan-2-ylpyrano[3,2-d]pyrimidin-8-one?
The IUPAC name of 2-tert-butyl-6-methylidene-7-propan-2-ylpyrano[3,2-d]pyrimidin-8-one (CID 59802840) is 2-tert-butyl-6-methylidene-7-propan-2-ylpyrano[3,2-d]pyrimidin-8-one.
What is the SMILES notation for 2-tert-butyl-6-methylidene-7-propan-2-ylpyrano[3,2-d]pyrimidin-8-one?
The canonical SMILES for 2-tert-butyl-6-methylidene-7-propan-2-ylpyrano[3,2-d]pyrimidin-8-one is C=C1Oc2cnc(C(C)(C)C)nc2C(=O)C1C(C)C.
What is the InChIKey of 2-tert-butyl-6-methylidene-7-propan-2-ylpyrano[3,2-d]pyrimidin-8-one?
The InChIKey is BHONZIYZDLFMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-8(2)11-9(3)19-10-7-16-14(15(4,5)6)17-12(10)13(11)18/h7-8,11H,3H2,1-2,4-6H3.
What are the key properties of 2-tert-butyl-6-methylidene-7-propan-2-ylpyrano[3,2-d]pyrimidin-8-one?
2-tert-butyl-6-methylidene-7-propan-2-ylpyrano[3,2-d]pyrimidin-8-one has a molecular weight of 260.34 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methylidene-7-propan-2-ylpyrano[3,2-d]pyrimidin-8-one is sourced from PubChem (CID 59802840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).