ethyl 2-(furan-2-yl)-4-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylate

C16H20N4O3 — CID 59517674

IUPACethyl 2-(furan-2-yl)-4-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccco2)nc1N1CCN(C)CC1
InChIInChI=1S/C16H20N4O3/c1-3-22-16(21)12-11-17-14(13-5-4-10-23-13)18-15(12)20-8-6-19(2)7-9-20/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyYUBSKJFSMRXYJL-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.67
Rot. Bonds4

About ethyl 2-(furan-2-yl)-4-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylate

ethyl 2-(furan-2-yl)-4-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylate (PubChem CID 59517674) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is ethyl 2-(furan-2-yl)-4-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(furan-2-yl)-4-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylate
PubChem CID59517674
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Nameethyl 2-(furan-2-yl)-4-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccco2)nc1N1CCN(C)CC1
InChIInChI=1S/C16H20N4O3/c1-3-22-16(21)12-11-17-14(13-5-4-10-23-13)18-15(12)20-8-6-19(2)7-9-20/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyYUBSKJFSMRXYJL-UHFFFAOYSA-N
XLogP1.67
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-(furan-2-yl)-4-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(diethylamino)-2-(furan-2-yl)pyrimidine-5-carboxylate
CID 59517794
ethyl 4-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidine-5-carboxylate
CID 5072145
ethyl 2-phenyl-4-thiomorpholin-4-ylpyrimidine-5-carboxylate
CID 1474606
ethyl 2-pyridin-3-yl-4-pyrrolidin-1-ylpyrimidine-5-carboxylate
CID 59517680
ethyl 4-(2,5-dihydropyrrol-1-yl)-2-phenylpyrimidine-5-carboxylate
CID 59517593
ethyl 2-(4-methoxyphenyl)-4-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine-5-carboxylate
CID 108773563
ethyl 4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-phenylpyrimidine-5-carboxylate
CID 108772756
ethyl 4-(difluoromethyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylate
CID 102973247
ethyl 6-(furan-2-yl)-4-phenylpyridine-3-carboxylate
CID 50924647
ethyl 2-(3-methylphenyl)-4-(4-quinolin-2-ylpiperazin-1-yl)pyrimidine-5-carboxylate
CID 108776903
ethyl 2-(furan-2-yl)thiophene-3-carboxylate
CID 10376255
ethyl 5-(benzylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
CID 118707862

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(furan-2-yl)-4-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(furan-2-yl)-4-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylate (CID 59517674) is ethyl 2-(furan-2-yl)-4-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(furan-2-yl)-4-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(furan-2-yl)-4-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2ccco2)nc1N1CCN(C)CC1.
What is the InChIKey of ethyl 2-(furan-2-yl)-4-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylate?
The InChIKey is YUBSKJFSMRXYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-3-22-16(21)12-11-17-14(13-5-4-10-23-13)18-15(12)20-8-6-19(2)7-9-20/h4-5,10-11H,3,6-9H2,1-2H3.
What are the key properties of ethyl 2-(furan-2-yl)-4-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylate?
ethyl 2-(furan-2-yl)-4-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(furan-2-yl)-4-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylate is sourced from PubChem (CID 59517674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).