ethyl 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate

C10H14N2O2 — CID 151609230

IUPACethyl 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1CCC2=NC=CCN21
InChIInChI=1S/C10H14N2O2/c1-2-14-10(13)8-4-5-9-11-6-3-7-12(8)9/h3,6,8H,2,4-5,7H2,1H3
InChIKeyQMDFDTXUCYPJSC-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.94
Rot. Bonds2

About ethyl 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate

ethyl 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate (PubChem CID 151609230) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is ethyl 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate
PubChem CID151609230
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Nameethyl 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1CCC2=NC=CCN21
InChIInChI=1S/C10H14N2O2/c1-2-14-10(13)8-4-5-9-11-6-3-7-12(8)9/h3,6,8H,2,4-5,7H2,1H3
InChIKeyQMDFDTXUCYPJSC-UHFFFAOYSA-N
XLogP0.94
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate (CID 151609230) is ethyl 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate is CCOC(=O)C1CCC2=NC=CCN21.
What is the InChIKey of ethyl 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate?
The InChIKey is QMDFDTXUCYPJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-14-10(13)8-4-5-9-11-6-3-7-12(8)9/h3,6,8H,2,4-5,7H2,1H3.
What are the key properties of ethyl 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate?
ethyl 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 151609230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).