2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidin-7-one

C9H10N2O3 — CID 156555749

IUPAC2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidin-7-one
SMILESCOc1nc(OC)c2c(n1)C(=O)CC2
InChIInChI=1S/C9H10N2O3/c1-13-8-5-3-4-6(12)7(5)10-9(11-8)14-2/h3-4H2,1-2H3
InChIKeyNISUVWIAEOPWCA-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.62
Rot. Bonds2

About 2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidin-7-one

2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidin-7-one (PubChem CID 156555749) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidin-7-one.

Molecular Properties

Compound Name2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidin-7-one
PubChem CID156555749
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidin-7-one
SMILESCOc1nc(OC)c2c(n1)C(=O)CC2
InChIInChI=1S/C9H10N2O3/c1-13-8-5-3-4-6(12)7(5)10-9(11-8)14-2/h3-4H2,1-2H3
InChIKeyNISUVWIAEOPWCA-UHFFFAOYSA-N
XLogP0.62
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-6,7-dihydro-5H-quinazolin-8-one
CID 66828831
5-Ethyl-2,6-dimethoxypyrimidine-4-carbaldehyde
CID 142698800
2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 156555750
4-(2,6-Dimethoxy-5-methylpyrimidin-4-yl)hexane-2,3-dione
CID 67036648
1-(6-Methoxy-2,5-dimethylpyrimidin-4-yl)ethanone
CID 82654249
1-(2,6-Dimethoxy-5-methylpyrimidin-4-yl)ethanone
CID 82657587
4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carbaldehyde
CID 105437415
1-(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanone
CID 105446012
CID 178685469
CID 178685469

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidin-7-one?
The IUPAC name of 2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidin-7-one (CID 156555749) is 2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidin-7-one.
What is the SMILES notation for 2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidin-7-one?
The canonical SMILES for 2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidin-7-one is COc1nc(OC)c2c(n1)C(=O)CC2.
What is the InChIKey of 2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidin-7-one?
The InChIKey is NISUVWIAEOPWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-13-8-5-3-4-6(12)7(5)10-9(11-8)14-2/h3-4H2,1-2H3.
What are the key properties of 2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidin-7-one?
2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidin-7-one has a molecular weight of 194.19 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidin-7-one is sourced from PubChem (CID 156555749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).