methyl 2-pyrimidin-2-ylfuran-3-carboxylate

C10H8N2O3 — CID 168950681

IUPACmethyl 2-pyrimidin-2-ylfuran-3-carboxylate
SMILESCOC(=O)c1ccoc1-c1ncccn1
InChIInChI=1S/C10H8N2O3/c1-14-10(13)7-3-6-15-8(7)9-11-4-2-5-12-9/h2-6H,1H3
InChIKeyQRWMTPLUHMZAQL-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.52
Rot. Bonds2

About methyl 2-pyrimidin-2-ylfuran-3-carboxylate

methyl 2-pyrimidin-2-ylfuran-3-carboxylate (PubChem CID 168950681) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is methyl 2-pyrimidin-2-ylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-pyrimidin-2-ylfuran-3-carboxylate
PubChem CID168950681
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Namemethyl 2-pyrimidin-2-ylfuran-3-carboxylate
SMILESCOC(=O)c1ccoc1-c1ncccn1
InChIInChI=1S/C10H8N2O3/c1-14-10(13)7-3-6-15-8(7)9-11-4-2-5-12-9/h2-6H,1H3
InChIKeyQRWMTPLUHMZAQL-UHFFFAOYSA-N
XLogP1.52
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-pyrimidin-2-ylfuran-3-carboxylate?
The IUPAC name of methyl 2-pyrimidin-2-ylfuran-3-carboxylate (CID 168950681) is methyl 2-pyrimidin-2-ylfuran-3-carboxylate.
What is the SMILES notation for methyl 2-pyrimidin-2-ylfuran-3-carboxylate?
The canonical SMILES for methyl 2-pyrimidin-2-ylfuran-3-carboxylate is COC(=O)c1ccoc1-c1ncccn1.
What is the InChIKey of methyl 2-pyrimidin-2-ylfuran-3-carboxylate?
The InChIKey is QRWMTPLUHMZAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-14-10(13)7-3-6-15-8(7)9-11-4-2-5-12-9/h2-6H,1H3.
What are the key properties of methyl 2-pyrimidin-2-ylfuran-3-carboxylate?
methyl 2-pyrimidin-2-ylfuran-3-carboxylate has a molecular weight of 204.19 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-pyrimidin-2-ylfuran-3-carboxylate is sourced from PubChem (CID 168950681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).