2-propan-2-yl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one

C9H12N2O2 — CID 137128195

IUPAC2-propan-2-yl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
SMILESCC(C)c1nc2c(c(=O)[nH]1)COC2
InChIInChI=1S/C9H12N2O2/c1-5(2)8-10-7-4-13-3-6(7)9(12)11-8/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyPRUCJXUGDTXGOJ-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.92
Rot. Bonds1

About 2-propan-2-yl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one

2-propan-2-yl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one (PubChem CID 137128195) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-propan-2-yl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-propan-2-yl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
PubChem CID137128195
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-propan-2-yl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
SMILESCC(C)c1nc2c(c(=O)[nH]1)COC2
InChIInChI=1S/C9H12N2O2/c1-5(2)8-10-7-4-13-3-6(7)9(12)11-8/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyPRUCJXUGDTXGOJ-UHFFFAOYSA-N
XLogP0.92
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-propan-2-yl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one (CID 137128195) is 2-propan-2-yl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-propan-2-yl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-propan-2-yl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one is CC(C)c1nc2c(c(=O)[nH]1)COC2.
What is the InChIKey of 2-propan-2-yl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
The InChIKey is PRUCJXUGDTXGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-5(2)8-10-7-4-13-3-6(7)9(12)11-8/h5H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of 2-propan-2-yl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
2-propan-2-yl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one has a molecular weight of 180.21 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137128195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).