6-ethyl-3-propan-2-yl-1H-furo[3,2-d]pyrimidine-2,4-dione;molecular hydrogen

C11H16N2O3 — CID 170981407

IUPAC6-ethyl-3-propan-2-yl-1H-furo[3,2-d]pyrimidine-2,4-dione;molecular hydrogen
SMILESCCc1cc2[nH]c(=O)n(C(C)C)c(=O)c2o1.[H][H]
InChIInChI=1S/C11H14N2O3.H2/c1-4-7-5-8-9(16-7)10(14)13(6(2)3)11(15)12-8;/h5-6H,4H2,1-3H3,(H,12,15);1H
InChIKeyJJHMWJGEABKVER-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.67
Rot. Bonds2

About 6-ethyl-3-propan-2-yl-1H-furo[3,2-d]pyrimidine-2,4-dione;molecular hydrogen

6-ethyl-3-propan-2-yl-1H-furo[3,2-d]pyrimidine-2,4-dione;molecular hydrogen (PubChem CID 170981407) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 6-ethyl-3-propan-2-yl-1H-furo[3,2-d]pyrimidine-2,4-dione;molecular hydrogen.

Molecular Properties

Compound Name6-ethyl-3-propan-2-yl-1H-furo[3,2-d]pyrimidine-2,4-dione;molecular hydrogen
PubChem CID170981407
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name6-ethyl-3-propan-2-yl-1H-furo[3,2-d]pyrimidine-2,4-dione;molecular hydrogen
SMILESCCc1cc2[nH]c(=O)n(C(C)C)c(=O)c2o1.[H][H]
InChIInChI=1S/C11H14N2O3.H2/c1-4-7-5-8-9(16-7)10(14)13(6(2)3)11(15)12-8;/h5-6H,4H2,1-3H3,(H,12,15);1H
InChIKeyJJHMWJGEABKVER-UHFFFAOYSA-N
XLogP1.67
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-propan-2-yl-1H-furo[3,2-d]pyrimidine-2,4-dione;molecular hydrogen?
The IUPAC name of 6-ethyl-3-propan-2-yl-1H-furo[3,2-d]pyrimidine-2,4-dione;molecular hydrogen (CID 170981407) is 6-ethyl-3-propan-2-yl-1H-furo[3,2-d]pyrimidine-2,4-dione;molecular hydrogen.
What is the SMILES notation for 6-ethyl-3-propan-2-yl-1H-furo[3,2-d]pyrimidine-2,4-dione;molecular hydrogen?
The canonical SMILES for 6-ethyl-3-propan-2-yl-1H-furo[3,2-d]pyrimidine-2,4-dione;molecular hydrogen is CCc1cc2[nH]c(=O)n(C(C)C)c(=O)c2o1.[H][H].
What is the InChIKey of 6-ethyl-3-propan-2-yl-1H-furo[3,2-d]pyrimidine-2,4-dione;molecular hydrogen?
The InChIKey is JJHMWJGEABKVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3.H2/c1-4-7-5-8-9(16-7)10(14)13(6(2)3)11(15)12-8;/h5-6H,4H2,1-3H3,(H,12,15);1H.
What are the key properties of 6-ethyl-3-propan-2-yl-1H-furo[3,2-d]pyrimidine-2,4-dione;molecular hydrogen?
6-ethyl-3-propan-2-yl-1H-furo[3,2-d]pyrimidine-2,4-dione;molecular hydrogen has a molecular weight of 224.26 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-propan-2-yl-1H-furo[3,2-d]pyrimidine-2,4-dione;molecular hydrogen is sourced from PubChem (CID 170981407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).