4-(furan-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one

C11H12N2O2 — CID 136883191

IUPAC4-(furan-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(-c2ccoc2)cc(=O)[nH]1
InChIInChI=1S/C11H12N2O2/c1-7(2)11-12-9(5-10(14)13-11)8-3-4-15-6-8/h3-7H,1-2H3,(H,12,13,14)
InChIKeyWZZBCZDWDXZBJC-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.15
Rot. Bonds2

About 4-(furan-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one

4-(furan-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136883191) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(furan-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(furan-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136883191
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-(furan-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(-c2ccoc2)cc(=O)[nH]1
InChIInChI=1S/C11H12N2O2/c1-7(2)11-12-9(5-10(14)13-11)8-3-4-15-6-8/h3-7H,1-2H3,(H,12,13,14)
InChIKeyWZZBCZDWDXZBJC-UHFFFAOYSA-N
XLogP2.15
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(furan-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136883191) is 4-(furan-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(furan-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(furan-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(-c2ccoc2)cc(=O)[nH]1.
What is the InChIKey of 4-(furan-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is WZZBCZDWDXZBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7(2)11-12-9(5-10(14)13-11)8-3-4-15-6-8/h3-7H,1-2H3,(H,12,13,14).
What are the key properties of 4-(furan-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(furan-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 204.23 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136883191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).