ethyl 4-(furan-2-yl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylate

C13H16N2O4 — CID 15306525

IUPACethyl 4-(furan-2-yl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NC(OC)=NC1c1ccco1
InChIInChI=1S/C13H16N2O4/c1-4-18-12(16)10-8(2)14-13(17-3)15-11(10)9-6-5-7-19-9/h5-7,11H,4H2,1-3H3,(H,14,15)
InChIKeyPBNPEXXZFPYQSF-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.76
Rot. Bonds3

About ethyl 4-(furan-2-yl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylate

ethyl 4-(furan-2-yl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylate (PubChem CID 15306525) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is ethyl 4-(furan-2-yl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(furan-2-yl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylate
PubChem CID15306525
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Nameethyl 4-(furan-2-yl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NC(OC)=NC1c1ccco1
InChIInChI=1S/C13H16N2O4/c1-4-18-12(16)10-8(2)14-13(17-3)15-11(10)9-6-5-7-19-9/h5-7,11H,4H2,1-3H3,(H,14,15)
InChIKeyPBNPEXXZFPYQSF-UHFFFAOYSA-N
XLogP1.76
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-furanyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
CID 2748280
Methyl 4-(2-furyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 2867529
Ethyl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 613506
2-Methoxyethyl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 3370723
Methylethyl 6-(2-furyl)-4-methyl-2-oxo-1,3,6-trihydropyrimidine-5-carboxylate
CID 2748294
Methyl 4-(2-furyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 3123319
(S)-6-Methyl-4-(5-methyl-furan-2-yl)-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid isopropyl ester
CID 725691
propan-2-yl 4-(furan-2-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2748282
2-methylpropyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2748296
5-Pyrimidinecarboxylicacid,4-(2-furanyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-,1-methylpropylester(9CI)
CID 2748297
Ethyl 6-methyl-4-(5-methylfuran-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2817094
propan-2-yl 6-methyl-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2917545

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(furan-2-yl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(furan-2-yl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylate (CID 15306525) is ethyl 4-(furan-2-yl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(furan-2-yl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(furan-2-yl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylate is CCOC(=O)C1=C(C)NC(OC)=NC1c1ccco1.
What is the InChIKey of ethyl 4-(furan-2-yl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylate?
The InChIKey is PBNPEXXZFPYQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-4-18-12(16)10-8(2)14-13(17-3)15-11(10)9-6-5-7-19-9/h5-7,11H,4H2,1-3H3,(H,14,15).
What are the key properties of ethyl 4-(furan-2-yl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylate?
ethyl 4-(furan-2-yl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(furan-2-yl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 15306525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).