ethyl 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-methylpyrimidine-5-carboxylate

C20H26N4O3 — CID 75400034

IUPACethyl 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CCN(c3ccccc3OCC)CC2)nc1C
InChIInChI=1S/C20H26N4O3/c1-4-26-18-9-7-6-8-17(18)23-10-12-24(13-11-23)20-21-14-16(15(3)22-20)19(25)27-5-2/h6-9,14H,4-5,10-13H2,1-3H3
InChIKeyXDMVRYNUFVEJAA-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.69
Rot. Bonds6

About ethyl 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-methylpyrimidine-5-carboxylate

ethyl 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-methylpyrimidine-5-carboxylate (PubChem CID 75400034) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is ethyl 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-methylpyrimidine-5-carboxylate
PubChem CID75400034
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Nameethyl 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CCN(c3ccccc3OCC)CC2)nc1C
InChIInChI=1S/C20H26N4O3/c1-4-26-18-9-7-6-8-17(18)23-10-12-24(13-11-23)20-21-14-16(15(3)22-20)19(25)27-5-2/h6-9,14H,4-5,10-13H2,1-3H3
InChIKeyXDMVRYNUFVEJAA-UHFFFAOYSA-N
XLogP2.69
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-methyl-2-thiomorpholin-4-ylpyrimidine-5-carboxylate
CID 46397674
ethyl 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylate
CID 12662938
ethyl 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-8-methoxyquinoline-3-carboxylate
CID 162649213
ethyl 4-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrimidine-5-carboxylate
CID 46739184
ethyl 2-[[2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetyl]amino]benzoate
CID 8703709
[4-(2-ethoxyphenyl)piperazin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 35514867
ethyl 4-phenoxy-2-pyrrolidin-1-ylpyrimidine-5-carboxylate
CID 170718101
ethyl 4-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxylate
CID 6472680
ethyl 7-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carboxylate
CID 162661401
ethyl 8-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]quinoline-3-carboxylate
CID 162647102
4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 4605707
(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide
CID 8691494

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-methylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-methylpyrimidine-5-carboxylate (CID 75400034) is ethyl 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-methylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(N2CCN(c3ccccc3OCC)CC2)nc1C.
What is the InChIKey of ethyl 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-methylpyrimidine-5-carboxylate?
The InChIKey is XDMVRYNUFVEJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-4-26-18-9-7-6-8-17(18)23-10-12-24(13-11-23)20-21-14-16(15(3)22-20)19(25)27-5-2/h6-9,14H,4-5,10-13H2,1-3H3.
What are the key properties of ethyl 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-methylpyrimidine-5-carboxylate?
ethyl 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-methylpyrimidine-5-carboxylate has a molecular weight of 370.45 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 75400034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).