cyclopentyl pyrimidine-5-carboxylate

C10H12N2O2 — CID 59148591

IUPACcyclopentyl pyrimidine-5-carboxylate
SMILESO=C(OC1CCCC1)c1cncnc1
InChIInChI=1S/C10H12N2O2/c13-10(8-5-11-7-12-6-8)14-9-3-1-2-4-9/h5-7,9H,1-4H2
InChIKeyDXYQABHYEPQUHJ-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.58
Rot. Bonds2

About cyclopentyl pyrimidine-5-carboxylate

cyclopentyl pyrimidine-5-carboxylate (PubChem CID 59148591) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is cyclopentyl pyrimidine-5-carboxylate.

Molecular Properties

Compound Namecyclopentyl pyrimidine-5-carboxylate
PubChem CID59148591
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Namecyclopentyl pyrimidine-5-carboxylate
SMILESO=C(OC1CCCC1)c1cncnc1
InChIInChI=1S/C10H12N2O2/c13-10(8-5-11-7-12-6-8)14-9-3-1-2-4-9/h5-7,9H,1-4H2
InChIKeyDXYQABHYEPQUHJ-UHFFFAOYSA-N
XLogP1.58
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl 4-fluorobenzoate
CID 579482
cyclooctyl 1-methylpyrazole-4-carboxylate
CID 78840160
dicyclododecyl 5-hydroxybenzene-1,3-dicarboxylate
CID 22679066
cyclohexyl 6-chloropyridine-3-carboxylate
CID 60716124
cyclohexyl 2,6-dichloropyridine-4-carboxylate
CID 22157828
cyclopentyl quinoline-3-carboxylate
CID 91372569
cyclopentyl 3-hydroxybenzoate
CID 82096879
cyclopentyl 4-(trifluoromethyl)benzoate
CID 599230
dicyclohexyl 5-ethylbenzene-1,3-dicarboxylate
CID 23514853
cyclohexyl 5-methylfuran-3-carboxylate
CID 23661320
cyclohexyl 4-(pyridine-4-carbonylamino)benzoate
CID 719338
2-cyclohexyl-1-pyrimidin-5-ylethanone
CID 114965913

Frequently Asked Questions

What is the IUPAC name of cyclopentyl pyrimidine-5-carboxylate?
The IUPAC name of cyclopentyl pyrimidine-5-carboxylate (CID 59148591) is cyclopentyl pyrimidine-5-carboxylate.
What is the SMILES notation for cyclopentyl pyrimidine-5-carboxylate?
The canonical SMILES for cyclopentyl pyrimidine-5-carboxylate is O=C(OC1CCCC1)c1cncnc1.
What is the InChIKey of cyclopentyl pyrimidine-5-carboxylate?
The InChIKey is DXYQABHYEPQUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-10(8-5-11-7-12-6-8)14-9-3-1-2-4-9/h5-7,9H,1-4H2.
What are the key properties of cyclopentyl pyrimidine-5-carboxylate?
cyclopentyl pyrimidine-5-carboxylate has a molecular weight of 192.22 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl pyrimidine-5-carboxylate is sourced from PubChem (CID 59148591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).