3,6-di(propan-2-yl)-1H-furo[3,2-d]pyrimidine-2,4-dione

C12H16N2O3 — CID 171444842

IUPAC3,6-di(propan-2-yl)-1H-furo[3,2-d]pyrimidine-2,4-dione
SMILESCC(C)c1cc2[nH]c(=O)n(C(C)C)c(=O)c2o1
InChIInChI=1S/C12H16N2O3/c1-6(2)9-5-8-10(17-9)11(15)14(7(3)4)12(16)13-8/h5-7H,1-4H3,(H,13,16)
InChIKeySKGKLKABXMMBII-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.99
Rot. Bonds2

About 3,6-di(propan-2-yl)-1H-furo[3,2-d]pyrimidine-2,4-dione

3,6-di(propan-2-yl)-1H-furo[3,2-d]pyrimidine-2,4-dione (PubChem CID 171444842) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3,6-di(propan-2-yl)-1H-furo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3,6-di(propan-2-yl)-1H-furo[3,2-d]pyrimidine-2,4-dione
PubChem CID171444842
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3,6-di(propan-2-yl)-1H-furo[3,2-d]pyrimidine-2,4-dione
SMILESCC(C)c1cc2[nH]c(=O)n(C(C)C)c(=O)c2o1
InChIInChI=1S/C12H16N2O3/c1-6(2)9-5-8-10(17-9)11(15)14(7(3)4)12(16)13-8/h5-7H,1-4H3,(H,13,16)
InChIKeySKGKLKABXMMBII-UHFFFAOYSA-N
XLogP1.99
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-di(propan-2-yl)-1H-furo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3,6-di(propan-2-yl)-1H-furo[3,2-d]pyrimidine-2,4-dione (CID 171444842) is 3,6-di(propan-2-yl)-1H-furo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3,6-di(propan-2-yl)-1H-furo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3,6-di(propan-2-yl)-1H-furo[3,2-d]pyrimidine-2,4-dione is CC(C)c1cc2[nH]c(=O)n(C(C)C)c(=O)c2o1.
What is the InChIKey of 3,6-di(propan-2-yl)-1H-furo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is SKGKLKABXMMBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-6(2)9-5-8-10(17-9)11(15)14(7(3)4)12(16)13-8/h5-7H,1-4H3,(H,13,16).
What are the key properties of 3,6-di(propan-2-yl)-1H-furo[3,2-d]pyrimidine-2,4-dione?
3,6-di(propan-2-yl)-1H-furo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 236.27 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(propan-2-yl)-1H-furo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 171444842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).