1,5-diethyl-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione

C12H14N2O3 — CID 58187635

IUPAC1,5-diethyl-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione
SMILESC=C1NC(=O)c2c(CC)cc(=O)oc2N1CC
InChIInChI=1S/C12H14N2O3/c1-4-8-6-9(15)17-12-10(8)11(16)13-7(3)14(12)5-2/h6H,3-5H2,1-2H3,(H,13,16)
InChIKeyHOFIUFXURKZNSQ-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.24
Rot. Bonds2

About 1,5-diethyl-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione

1,5-diethyl-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 58187635) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1,5-diethyl-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name1,5-diethyl-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID58187635
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name1,5-diethyl-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione
SMILESC=C1NC(=O)c2c(CC)cc(=O)oc2N1CC
InChIInChI=1S/C12H14N2O3/c1-4-8-6-9(15)17-12-10(8)11(16)13-7(3)14(12)5-2/h6H,3-5H2,1-2H3,(H,13,16)
InChIKeyHOFIUFXURKZNSQ-UHFFFAOYSA-N
XLogP1.24
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-diethyl-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 1,5-diethyl-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione (CID 58187635) is 1,5-diethyl-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 1,5-diethyl-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 1,5-diethyl-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione is C=C1NC(=O)c2c(CC)cc(=O)oc2N1CC.
What is the InChIKey of 1,5-diethyl-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is HOFIUFXURKZNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-4-8-6-9(15)17-12-10(8)11(16)13-7(3)14(12)5-2/h6H,3-5H2,1-2H3,(H,13,16).
What are the key properties of 1,5-diethyl-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione?
1,5-diethyl-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 234.25 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethyl-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 58187635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).