6-butyl-1H-furo[3,2-d]pyrimidin-2-one

C10H12N2O2 — CID 69060553

IUPAC6-butyl-1H-furo[3,2-d]pyrimidin-2-one
SMILESCCCCc1cc2[nH]c(=O)ncc2o1
InChIInChI=1S/C10H12N2O2/c1-2-3-4-7-5-8-9(14-7)6-11-10(13)12-8/h5-6H,2-4H2,1H3,(H,11,12,13)
InChIKeyLVVOPFWEJUGNNR-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.86
Rot. Bonds3

About 6-butyl-1H-furo[3,2-d]pyrimidin-2-one

6-butyl-1H-furo[3,2-d]pyrimidin-2-one (PubChem CID 69060553) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 6-butyl-1H-furo[3,2-d]pyrimidin-2-one.

Molecular Properties

Compound Name6-butyl-1H-furo[3,2-d]pyrimidin-2-one
PubChem CID69060553
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name6-butyl-1H-furo[3,2-d]pyrimidin-2-one
SMILESCCCCc1cc2[nH]c(=O)ncc2o1
InChIInChI=1S/C10H12N2O2/c1-2-3-4-7-5-8-9(14-7)6-11-10(13)12-8/h5-6H,2-4H2,1H3,(H,11,12,13)
InChIKeyLVVOPFWEJUGNNR-UHFFFAOYSA-N
XLogP1.86
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-1H-furo[3,2-d]pyrimidin-2-one?
The IUPAC name of 6-butyl-1H-furo[3,2-d]pyrimidin-2-one (CID 69060553) is 6-butyl-1H-furo[3,2-d]pyrimidin-2-one.
What is the SMILES notation for 6-butyl-1H-furo[3,2-d]pyrimidin-2-one?
The canonical SMILES for 6-butyl-1H-furo[3,2-d]pyrimidin-2-one is CCCCc1cc2[nH]c(=O)ncc2o1.
What is the InChIKey of 6-butyl-1H-furo[3,2-d]pyrimidin-2-one?
The InChIKey is LVVOPFWEJUGNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-2-3-4-7-5-8-9(14-7)6-11-10(13)12-8/h5-6H,2-4H2,1H3,(H,11,12,13).
What are the key properties of 6-butyl-1H-furo[3,2-d]pyrimidin-2-one?
6-butyl-1H-furo[3,2-d]pyrimidin-2-one has a molecular weight of 192.22 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-1H-furo[3,2-d]pyrimidin-2-one is sourced from PubChem (CID 69060553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).