2-tert-butyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one

C10H14N2O2 — CID 137049007

IUPAC2-tert-butyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
SMILESCC(C)(C)c1nc2c(c(=O)[nH]1)COC2
InChIInChI=1S/C10H14N2O2/c1-10(2,3)9-11-7-5-14-4-6(7)8(13)12-9/h4-5H2,1-3H3,(H,11,12,13)
InChIKeyQQCQFOWEUPXEPF-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.10
Rot. Bonds

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

2-tert-butyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one (PubChem CID 137049007) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-tert-butyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-tert-butyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
PubChem CID137049007
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-tert-butyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
SMILESCC(C)(C)c1nc2c(c(=O)[nH]1)COC2
InChIInChI=1S/C10H14N2O2/c1-10(2,3)9-11-7-5-14-4-6(7)8(13)12-9/h4-5H2,1-3H3,(H,11,12,13)
InChIKeyQQCQFOWEUPXEPF-UHFFFAOYSA-N
XLogP1.10
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-tert-butyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one (CID 137049007) is 2-tert-butyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-tert-butyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-tert-butyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one is CC(C)(C)c1nc2c(c(=O)[nH]1)COC2.
What is the InChIKey of 2-tert-butyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
The InChIKey is QQCQFOWEUPXEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-10(2,3)9-11-7-5-14-4-6(7)8(13)12-9/h4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 2-tert-butyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
2-tert-butyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one has a molecular weight of 194.23 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137049007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).