ethyl 4-cyclopropyl-2-(furan-3-yl)pyrimidine-5-carboxylate

C14H14N2O3 — CID 102973124

IUPACethyl 4-cyclopropyl-2-(furan-3-yl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccoc2)nc1C1CC1
InChIInChI=1S/C14H14N2O3/c1-2-19-14(17)11-7-15-13(10-5-6-18-8-10)16-12(11)9-3-4-9/h5-9H,2-4H2,1H3
InChIKeyVUFSOPHGHGZPMZ-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.79
Rot. Bonds4

About ethyl 4-cyclopropyl-2-(furan-3-yl)pyrimidine-5-carboxylate

ethyl 4-cyclopropyl-2-(furan-3-yl)pyrimidine-5-carboxylate (PubChem CID 102973124) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is ethyl 4-cyclopropyl-2-(furan-3-yl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyclopropyl-2-(furan-3-yl)pyrimidine-5-carboxylate
PubChem CID102973124
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Nameethyl 4-cyclopropyl-2-(furan-3-yl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccoc2)nc1C1CC1
InChIInChI=1S/C14H14N2O3/c1-2-19-14(17)11-7-15-13(10-5-6-18-8-10)16-12(11)9-3-4-9/h5-9H,2-4H2,1H3
InChIKeyVUFSOPHGHGZPMZ-UHFFFAOYSA-N
XLogP2.79
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(chloromethyl)-2-(furan-3-yl)pyrimidine-5-carboxylate
CID 102973339
ethyl 4-cyclopropyl-2-methylpyrimidine-5-carboxylate
CID 22831806
ethyl 4-cyclopropyl-2-(ethylsulfanylmethyl)pyrimidine-5-carboxylate
CID 102973087
ethyl 4-cyclopropyl-2-(pyridin-4-ylmethyl)pyrimidine-5-carboxylate
CID 102973159
ethyl 4-cyclopropylpyrimidine-5-carboxylate
CID 22831718
ethyl 2-cyclopropyl-5-ethyl-6-methylpyridine-3-carboxylate
CID 116533608
ethyl 4-(furan-3-yl)benzoate
CID 86071197
ethyl 4-cyclopropyl-2-(thiolan-2-yl)pyrimidine-5-carboxylate
CID 102973166
ethyl 2-(butan-2-ylsulfanylmethyl)-4-cyclopropylpyrimidine-5-carboxylate
CID 102973068
ethyl 3-chloro-2-cyclopropylpyridine-4-carboxylate
CID 71239170
ethyl 4-(2,5-dihydropyrrol-1-yl)-2-phenylpyrimidine-5-carboxylate
CID 59517593
ethyl 5-chloro-2-cyclopropylpyridine-3-carboxylate
CID 112694248

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclopropyl-2-(furan-3-yl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-cyclopropyl-2-(furan-3-yl)pyrimidine-5-carboxylate (CID 102973124) is ethyl 4-cyclopropyl-2-(furan-3-yl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-cyclopropyl-2-(furan-3-yl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-cyclopropyl-2-(furan-3-yl)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2ccoc2)nc1C1CC1.
What is the InChIKey of ethyl 4-cyclopropyl-2-(furan-3-yl)pyrimidine-5-carboxylate?
The InChIKey is VUFSOPHGHGZPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-2-19-14(17)11-7-15-13(10-5-6-18-8-10)16-12(11)9-3-4-9/h5-9H,2-4H2,1H3.
What are the key properties of ethyl 4-cyclopropyl-2-(furan-3-yl)pyrimidine-5-carboxylate?
ethyl 4-cyclopropyl-2-(furan-3-yl)pyrimidine-5-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclopropyl-2-(furan-3-yl)pyrimidine-5-carboxylate is sourced from PubChem (CID 102973124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).