methyl 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetate

C10H12N2O3 — CID 130815803

IUPACmethyl 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetate
SMILESCOC(=O)Cn1cnc2c(c1=O)CCC2
InChIInChI=1S/C10H12N2O3/c1-15-9(13)5-12-6-11-8-4-2-3-7(8)10(12)14/h6H,2-5H2,1H3
InChIKeyPITQTONVEZXTPC-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.09
Rot. Bonds2

About methyl 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetate

methyl 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetate (PubChem CID 130815803) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is methyl 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetate
PubChem CID130815803
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Namemethyl 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetate
SMILESCOC(=O)Cn1cnc2c(c1=O)CCC2
InChIInChI=1S/C10H12N2O3/c1-15-9(13)5-12-6-11-8-4-2-3-7(8)10(12)14/h6H,2-5H2,1H3
InChIKeyPITQTONVEZXTPC-UHFFFAOYSA-N
XLogP-0.09
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 1-butyl-4-methyl-5-octyl-6-oxopyrimidine-2-carboxylate
CID 53350164
2-(4-Oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-3-yl)acetic acid
CID 71563741
2-(4-Oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetic acid
CID 71563742
(4-Methyl-6-oxo-5-propyl-6H-pyrimidin-1-yl)-acetic acid
CID 97628323
(2-Methyl-4-oxo-4,5,6,7-tetrahydro-cyclopentapyrimidin-3-yl)-acetic acid
CID 97628334
3-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 99824666
3-(methoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 130605363
3-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 130622029
3-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 130710730
3-(2-hydroxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 130943852
3-(2-aminooxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 130963988
Methyl 4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-carboxylate
CID 136220230

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetate?
The IUPAC name of methyl 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetate (CID 130815803) is methyl 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetate.
What is the SMILES notation for methyl 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetate?
The canonical SMILES for methyl 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetate is COC(=O)Cn1cnc2c(c1=O)CCC2.
What is the InChIKey of methyl 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetate?
The InChIKey is PITQTONVEZXTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-15-9(13)5-12-6-11-8-4-2-3-7(8)10(12)14/h6H,2-5H2,1H3.
What are the key properties of methyl 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetate?
methyl 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetate has a molecular weight of 208.22 g/mol, XLogP of -0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetate is sourced from PubChem (CID 130815803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).