ethane;2-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one

C9H14N2O2 — CID 172576466

IUPACethane;2-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
SMILESCC.Cc1nc2c(c(=O)[nH]1)COC2
InChIInChI=1S/C7H8N2O2.C2H6/c1-4-8-6-3-11-2-5(6)7(10)9-4;1-2/h2-3H2,1H3,(H,8,9,10);1-2H3
InChIKeyPQJDEDOQFYNHAR-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.13
Rot. Bonds

About ethane;2-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one

ethane;2-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one (PubChem CID 172576466) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is ethane;2-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Nameethane;2-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
PubChem CID172576466
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Nameethane;2-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
SMILESCC.Cc1nc2c(c(=O)[nH]1)COC2
InChIInChI=1S/C7H8N2O2.C2H6/c1-4-8-6-3-11-2-5(6)7(10)9-4;1-2/h2-3H2,1H3,(H,8,9,10);1-2H3
InChIKeyPQJDEDOQFYNHAR-UHFFFAOYSA-N
XLogP1.13
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Dimethyl-6-oxo-1,6-dihydro-pyrimidine-4-carboxylic acid ethyl ester
CID 135453694
6-(ethoxymethyl)-2-(hydroxymethyl)-5-methyl-1H-pyrimidin-4-one
CID 135441719
5-(ethylperoxymethyl)-2,4-dimethyl-1H-pyrimidin-6-one
CID 135733779
2-Methyl-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 135741851
5,7-Dihydro-2-methylfuro[3,4-d]pyrimidin-4-ol
CID 135819035
2,5,7-trimethyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
CID 136442752
2,7-dimethyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
CID 136442772
2-tert-butyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
CID 137049007
2-propan-2-yl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
CID 137128195
Ethyl 1,6-dihydro-2,4-dimethyl-6-oxo-5-pyrimidinecarboxylate
CID 154942155
5-(methoxymethyl)-2,4-dimethyl-1H-pyrimidin-6-one
CID 157819622
2,7,7-Trimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one
CID 172576459

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
The IUPAC name of ethane;2-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one (CID 172576466) is ethane;2-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for ethane;2-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
The canonical SMILES for ethane;2-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one is CC.Cc1nc2c(c(=O)[nH]1)COC2.
What is the InChIKey of ethane;2-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
The InChIKey is PQJDEDOQFYNHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2.C2H6/c1-4-8-6-3-11-2-5(6)7(10)9-4;1-2/h2-3H2,1H3,(H,8,9,10);1-2H3.
What are the key properties of ethane;2-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
ethane;2-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one has a molecular weight of 182.22 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 172576466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).