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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Related Compounds

7,7-dimethyl-2,4-di(propan-2-yl)-6H-pyrano[2,3-d]pyrimidin-5-one
CID 59634353
2-Ethyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[2,3-d]pyrimidine
CID 67565841
2-Amino-4-methyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one
CID 90064102
2-Amino-4-tert-butyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one
CID 118445895
ethane;2,4,7,7-tetramethyl-6H-pyrano[2,3-d]pyrimidin-5-one
CID 144114586
2,4,7,7-tetramethyl-6H-pyrano[2,3-d]pyrimidin-5-one
CID 144114587
2,4,7,7-Tetramethyl-5,6-dihydropyrano[2,3-d]pyrimidine
CID 144114624
2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
CID 146760306
2-ethyl-4-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
CID 169614926
1-(4-Butoxy-2-chloro-6-methylpyrimidin-5-yl)propan-1-one
CID 170185896
2,4,7-Tri(propan-2-yl)pyrano[2,3-d]pyrimidin-5-one
CID 171769804

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).