2,7,7-trimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one

C9H12N2O2 — CID 172576459

IUPAC2,7,7-trimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)COC2(C)C
InChIInChI=1S/C9H12N2O2/c1-5-10-7-6(8(12)11-5)4-13-9(7,2)3/h4H2,1-3H3,(H,10,11,12)
InChIKeyMHOCSAXGLDIABH-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.84
Rot. Bonds

About 2,7,7-trimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one

2,7,7-trimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one (PubChem CID 172576459) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2,7,7-trimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,7,7-trimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one
PubChem CID172576459
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2,7,7-trimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)COC2(C)C
InChIInChI=1S/C9H12N2O2/c1-5-10-7-6(8(12)11-5)4-13-9(7,2)3/h4H2,1-3H3,(H,10,11,12)
InChIKeyMHOCSAXGLDIABH-UHFFFAOYSA-N
XLogP0.84
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,7,7-trimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-Ethyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696292
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
2,7,7-trimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
CID 141461929
7,7-dimethyl-2-propyl-3H-furo[3,4-d]pyrimidine-4,5-dione
CID 141461940
2-tert-butyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
CID 141461941
2-cyclopropyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
CID 141461950
Ethane;2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 144917811

Frequently Asked Questions

What is the IUPAC name of 2,7,7-trimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one?
The IUPAC name of 2,7,7-trimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one (CID 172576459) is 2,7,7-trimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2,7,7-trimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2,7,7-trimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)COC2(C)C.
What is the InChIKey of 2,7,7-trimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one?
The InChIKey is MHOCSAXGLDIABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-5-10-7-6(8(12)11-5)4-13-9(7,2)3/h4H2,1-3H3,(H,10,11,12).
What are the key properties of 2,7,7-trimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one?
2,7,7-trimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one has a molecular weight of 180.21 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,7-trimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 172576459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).