methyl 6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carboxylate

C9H10N2O2 — CID 119053655

IUPACmethyl 6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carboxylate
SMILESCOC(=O)C1CCc2ncncc21
InChIInChI=1S/C9H10N2O2/c1-13-9(12)6-2-3-8-7(6)4-10-5-11-8/h4-6H,2-3H2,1H3
InChIKeyAIEYLYPOAXZGRO-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.68
Rot. Bonds1

About methyl 6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carboxylate

methyl 6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carboxylate (PubChem CID 119053655) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is methyl 6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carboxylate
PubChem CID119053655
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Namemethyl 6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carboxylate
SMILESCOC(=O)C1CCc2ncncc21
InChIInChI=1S/C9H10N2O2/c1-13-9(12)6-2-3-8-7(6)4-10-5-11-8/h4-6H,2-3H2,1H3
InChIKeyAIEYLYPOAXZGRO-UHFFFAOYSA-N
XLogP0.68
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carboxylate?
The IUPAC name of methyl 6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carboxylate (CID 119053655) is methyl 6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carboxylate is COC(=O)C1CCc2ncncc21.
What is the InChIKey of methyl 6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carboxylate?
The InChIKey is AIEYLYPOAXZGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-13-9(12)6-2-3-8-7(6)4-10-5-11-8/h4-6H,2-3H2,1H3.
What are the key properties of methyl 6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carboxylate?
methyl 6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carboxylate has a molecular weight of 178.19 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carboxylate is sourced from PubChem (CID 119053655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).