(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium

C18H25N4O5+ — CID 8559267

IUPAC(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
SMILESCCOC(=O)C1=C(C[NH+](C)CC(=O)Nc2ccc(OC)cc2)NC(=O)NC1
InChIInChI=1S/C18H24N4O5/c1-4-27-17(24)14-9-19-18(25)21-15(14)10-22(2)11-16(23)20-12-5-7-13(26-3)8-6-12/h5-8H,4,9-11H2,1-3H3,(H,20,23)(H2,19,21,25)/p+1
InChIKeyCNULFNKSYSWFQS-UHFFFAOYSA-O
MW377.42 g/mol
LogP-0.72
Rot. Bonds8

About (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium

(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium (PubChem CID 8559267) has the molecular formula C18H25N4O5+ and a molecular weight of 377.42 g/mol. Its IUPAC name is (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
PubChem CID8559267
Molecular FormulaC18H25N4O5+
Molecular Weight377.42 g/mol
Exact Mass377.18
IUPAC Name(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
SMILESCCOC(=O)C1=C(C[NH+](C)CC(=O)Nc2ccc(OC)cc2)NC(=O)NC1
InChIInChI=1S/C18H24N4O5/c1-4-27-17(24)14-9-19-18(25)21-15(14)10-22(2)11-16(23)20-12-5-7-13(26-3)8-6-12/h5-8H,4,9-11H2,1-3H3,(H,20,23)(H2,19,21,25)/p+1
InChIKeyCNULFNKSYSWFQS-UHFFFAOYSA-O
XLogP-0.72
TPSA110.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222883
(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 8709469
[2-(cyclopropylamino)-2-oxoethyl]-[[(4R)-5-ethoxycarbonyl-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methylazanium
CID 9053634
[(4R)-5-ethoxycarbonyl-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9050009
ethyl 6-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 27995172
[2-(3-ethylanilino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8778311
ethyl 6-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 8833600
[2-(3,4-dimethoxyanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222891
[2-(4-acetylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222899
ethyl 6-[[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 24565997
ethyl 2-oxo-6-[[(2R)-2-(phenylcarbamoyl)pyrrolidin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 34221418
ethyl 6-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 29394420

Frequently Asked Questions

What is the IUPAC name of (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium (CID 8559267) is (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium is CCOC(=O)C1=C(C[NH+](C)CC(=O)Nc2ccc(OC)cc2)NC(=O)NC1.
What is the InChIKey of (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium?
The InChIKey is CNULFNKSYSWFQS-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H24N4O5/c1-4-27-17(24)14-9-19-18(25)21-15(14)10-22(2)11-16(23)20-12-5-7-13(26-3)8-6-12/h5-8H,4,9-11H2,1-3H3,(H,20,23)(H2,19,21,25)/p+1.
What are the key properties of (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium?
(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium has a molecular weight of 377.42 g/mol, XLogP of -0.72, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8559267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).