2-methyl-7-methylidene-4-propan-2-ylpyrano[2,3-d]pyrimidin-5-one

C12H14N2O2 — CID 67566357

IUPAC2-methyl-7-methylidene-4-propan-2-ylpyrano[2,3-d]pyrimidin-5-one
SMILESC=C1CC(=O)c2c(nc(C)nc2C(C)C)O1
InChIInChI=1S/C12H14N2O2/c1-6(2)11-10-9(15)5-7(3)16-12(10)14-8(4)13-11/h6H,3,5H2,1-2,4H3
InChIKeyBVSXGOHUJRFAPK-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.39
Rot. Bonds1

About 2-methyl-7-methylidene-4-propan-2-ylpyrano[2,3-d]pyrimidin-5-one

2-methyl-7-methylidene-4-propan-2-ylpyrano[2,3-d]pyrimidin-5-one (PubChem CID 67566357) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-methyl-7-methylidene-4-propan-2-ylpyrano[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-methyl-7-methylidene-4-propan-2-ylpyrano[2,3-d]pyrimidin-5-one
PubChem CID67566357
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-methyl-7-methylidene-4-propan-2-ylpyrano[2,3-d]pyrimidin-5-one
SMILESC=C1CC(=O)c2c(nc(C)nc2C(C)C)O1
InChIInChI=1S/C12H14N2O2/c1-6(2)11-10-9(15)5-7(3)16-12(10)14-8(4)13-11/h6H,3,5H2,1-2,4H3
InChIKeyBVSXGOHUJRFAPK-UHFFFAOYSA-N
XLogP2.39
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-methylidene-4-propan-2-ylpyrano[2,3-d]pyrimidin-5-one?
The IUPAC name of 2-methyl-7-methylidene-4-propan-2-ylpyrano[2,3-d]pyrimidin-5-one (CID 67566357) is 2-methyl-7-methylidene-4-propan-2-ylpyrano[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-methyl-7-methylidene-4-propan-2-ylpyrano[2,3-d]pyrimidin-5-one?
The canonical SMILES for 2-methyl-7-methylidene-4-propan-2-ylpyrano[2,3-d]pyrimidin-5-one is C=C1CC(=O)c2c(nc(C)nc2C(C)C)O1.
What is the InChIKey of 2-methyl-7-methylidene-4-propan-2-ylpyrano[2,3-d]pyrimidin-5-one?
The InChIKey is BVSXGOHUJRFAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-6(2)11-10-9(15)5-7(3)16-12(10)14-8(4)13-11/h6H,3,5H2,1-2,4H3.
What are the key properties of 2-methyl-7-methylidene-4-propan-2-ylpyrano[2,3-d]pyrimidin-5-one?
2-methyl-7-methylidene-4-propan-2-ylpyrano[2,3-d]pyrimidin-5-one has a molecular weight of 218.26 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-methylidene-4-propan-2-ylpyrano[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 67566357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).