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

C8H9ClN2O2 — CID 172576423

IUPAC2-chloro-7,7-dimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one
SMILESCC1(C)OCc2c1nc(Cl)[nH]c2=O
InChIInChI=1S/C8H9ClN2O2/c1-8(2)5-4(3-13-8)6(12)11-7(9)10-5/h3H2,1-2H3,(H,10,11,12)
InChIKeyJSFAIHZZPHZLBE-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.19
Rot. Bonds

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

2-chloro-7,7-dimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one (PubChem CID 172576423) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is 2-chloro-7,7-dimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-chloro-7,7-dimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one
PubChem CID172576423
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Name2-chloro-7,7-dimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one
SMILESCC1(C)OCc2c1nc(Cl)[nH]c2=O
InChIInChI=1S/C8H9ClN2O2/c1-8(2)5-4(3-13-8)6(12)11-7(9)10-5/h3H2,1-2H3,(H,10,11,12)
InChIKeyJSFAIHZZPHZLBE-UHFFFAOYSA-N
XLogP1.19
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-Chloro-5,7-dihydrofuro[3,4-D]pyrimidin-4(3H)-one
CID 136743884
2-methoxy-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
CID 141461945
2,7,7-Trimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one
CID 172576459
2-(1-Chloroethyl)-7,7-dimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one
CID 137261811
5,5-Dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one
CID 137262486
2-Amino-5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one
CID 137265500
2-Ethyl-5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one
CID 137272882
2-(Chloromethyl)-7,7-dimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one
CID 137272885
2-amino-5-methyl-5H,7H-furo[3,4-d]pyrimidin-4-ol
CID 165525688

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7,7-dimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-chloro-7,7-dimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one (CID 172576423) is 2-chloro-7,7-dimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-chloro-7,7-dimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-chloro-7,7-dimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one is CC1(C)OCc2c1nc(Cl)[nH]c2=O.
What is the InChIKey of 2-chloro-7,7-dimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one?
The InChIKey is JSFAIHZZPHZLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-8(2)5-4(3-13-8)6(12)11-7(9)10-5/h3H2,1-2H3,(H,10,11,12).
What are the key properties of 2-chloro-7,7-dimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one?
2-chloro-7,7-dimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one has a molecular weight of 200.62 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7,7-dimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 172576423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).