ethyl 4-methyl-6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C19H31N5O5 — CID 55498246

IUPACethyl 4-methyl-6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(CN2CCN(C(=O)CN3CCOCC3)CC2)NC(=O)NC1C
InChIInChI=1S/C19H31N5O5/c1-3-29-18(26)17-14(2)20-19(27)21-15(17)12-22-4-6-24(7-5-22)16(25)13-23-8-10-28-11-9-23/h14H,3-13H2,1-2H3,(H2,20,21,27)
InChIKeyFKVJNYVBOZKXMR-UHFFFAOYSA-N
MW409.49 g/mol
LogP-1.02
Rot. Bonds6

About ethyl 4-methyl-6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 4-methyl-6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 55498246) has the molecular formula C19H31N5O5 and a molecular weight of 409.49 g/mol. Its IUPAC name is ethyl 4-methyl-6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID55498246
Molecular FormulaC19H31N5O5
Molecular Weight409.49 g/mol
Exact Mass409.23
IUPAC Nameethyl 4-methyl-6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(CN2CCN(C(=O)CN3CCOCC3)CC2)NC(=O)NC1C
InChIInChI=1S/C19H31N5O5/c1-3-29-18(26)17-14(2)20-19(27)21-15(17)12-22-4-6-24(7-5-22)16(25)13-23-8-10-28-11-9-23/h14H,3-13H2,1-2H3,(H2,20,21,27)
InChIKeyFKVJNYVBOZKXMR-UHFFFAOYSA-N
XLogP-1.02
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 4-methyl-6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl (4R)-4-ethyl-6-(morpholin-4-ylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 31489643
ethyl (4S)-4-(5-methylfuran-2-yl)-2-oxo-6-[[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 39977268
ethyl 6-[[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 24507515
ethyl (4R)-6-[(4-benzylpiperazin-1-yl)methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 30726130
ethyl 4-methyl-6-[(3-methylpiperidin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 51170640
ethyl (4S)-6-(morpholin-4-ylmethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 92852636
ethyl 6-[[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 24568518
ethyl (4R)-4-(4-fluorophenyl)-6-(morpholin-4-ylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 92690212
ethyl 6-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55362199
ethyl 6-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55354003
ethyl (4S)-4-methyl-6-[[(2R)-2-methylpiperidin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 124838090
ethyl 6-[(4-acetylpiperazin-1-yl)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 24564947

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-methyl-6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 55498246) is ethyl 4-methyl-6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(CN2CCN(C(=O)CN3CCOCC3)CC2)NC(=O)NC1C.
What is the InChIKey of ethyl 4-methyl-6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is FKVJNYVBOZKXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O5/c1-3-29-18(26)17-14(2)20-19(27)21-15(17)12-22-4-6-24(7-5-22)16(25)13-23-8-10-28-11-9-23/h14H,3-13H2,1-2H3,(H2,20,21,27).
What are the key properties of ethyl 4-methyl-6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 4-methyl-6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 409.49 g/mol, XLogP of -1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 55498246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).