methyl 2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methylpyrimidine-4-carboxylate

C19H24N4O3 — CID 56878278

IUPACmethyl 2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methylpyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(N2CCN(C/C(C)=C/c3ccco3)CC2)n1
InChIInChI=1S/C19H24N4O3/c1-14(11-16-5-4-10-26-16)13-22-6-8-23(9-7-22)19-20-15(2)12-17(21-19)18(24)25-3/h4-5,10-12H,6-9,13H2,1-3H3/b14-11+
InChIKeyJYEMMZLXHKUGSJ-SDNWHVSQSA-N
MW356.43 g/mol
LogP2.39
Rot. Bonds5

About methyl 2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methylpyrimidine-4-carboxylate

methyl 2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methylpyrimidine-4-carboxylate (PubChem CID 56878278) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is methyl 2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methylpyrimidine-4-carboxylate
PubChem CID56878278
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Namemethyl 2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methylpyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(N2CCN(C/C(C)=C/c3ccco3)CC2)n1
InChIInChI=1S/C19H24N4O3/c1-14(11-16-5-4-10-26-16)13-22-6-8-23(9-7-22)19-20-15(2)12-17(21-19)18(24)25-3/h4-5,10-12H,6-9,13H2,1-3H3/b14-11+
InChIKeyJYEMMZLXHKUGSJ-SDNWHVSQSA-N
XLogP2.39
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methylpyrimidine-4-carboxylate with MolForge

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Related Compounds

3-chloro-6-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 50958806
methyl 2-(4-aminopiperidin-1-yl)-6-methylpyrimidine-4-carboxylate
CID 69357108
ethyl 2-(4-benzylpiperazin-1-yl)-6-methylpyrimidine-4-carboxylate
CID 17067460
2-[2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]benzimidazol-1-yl]ethanol
CID 50981831
N-[1-[7-[3-(furan-2-yl)-2-methylprop-2-enyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]-3-methoxypropanamide
CID 75100367
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
[1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methanamine
CID 50948250
2-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109326101
N-tert-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine-4-carboxamide
CID 109332737
formic acid;methyl 6-methyl-2-[1-oxo-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidine-4-carboxylate
CID 172897109
methyl 6-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxylate
CID 87349798
N-[(1R)-1-[7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]-2-methylbenzamide
CID 42212230

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methylpyrimidine-4-carboxylate?
The IUPAC name of methyl 2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methylpyrimidine-4-carboxylate (CID 56878278) is methyl 2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methylpyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methylpyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methylpyrimidine-4-carboxylate is COC(=O)c1cc(C)nc(N2CCN(C/C(C)=C/c3ccco3)CC2)n1.
What is the InChIKey of methyl 2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methylpyrimidine-4-carboxylate?
The InChIKey is JYEMMZLXHKUGSJ-SDNWHVSQSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-14(11-16-5-4-10-26-16)13-22-6-8-23(9-7-22)19-20-15(2)12-17(21-19)18(24)25-3/h4-5,10-12H,6-9,13H2,1-3H3/b14-11+.
What are the key properties of methyl 2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methylpyrimidine-4-carboxylate?
methyl 2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methylpyrimidine-4-carboxylate has a molecular weight of 356.43 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methylpyrimidine-4-carboxylate is sourced from PubChem (CID 56878278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).