6-amino-1-(2-methoxyethyl)-5-[2-(N-methyl-2-phenoxyanilino)acetyl]pyrimidine-2,4-dione

C22H24N4O5 — CID 56549542

IUPAC6-amino-1-(2-methoxyethyl)-5-[2-(N-methyl-2-phenoxyanilino)acetyl]pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(C(=O)CN(C)c2ccccc2Oc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C22H24N4O5/c1-25(16-10-6-7-11-18(16)31-15-8-4-3-5-9-15)14-17(27)19-20(23)26(12-13-30-2)22(29)24-21(19)28/h3-11H,12-14,23H2,1-2H3,(H,24,28,29)
InChIKeyOEPHKXWVSZUQHV-UHFFFAOYSA-N
MW424.46 g/mol
LogP1.88
Rot. Bonds9

About 6-amino-1-(2-methoxyethyl)-5-[2-(N-methyl-2-phenoxyanilino)acetyl]pyrimidine-2,4-dione

6-amino-1-(2-methoxyethyl)-5-[2-(N-methyl-2-phenoxyanilino)acetyl]pyrimidine-2,4-dione (PubChem CID 56549542) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is 6-amino-1-(2-methoxyethyl)-5-[2-(N-methyl-2-phenoxyanilino)acetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(2-methoxyethyl)-5-[2-(N-methyl-2-phenoxyanilino)acetyl]pyrimidine-2,4-dione
PubChem CID56549542
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC Name6-amino-1-(2-methoxyethyl)-5-[2-(N-methyl-2-phenoxyanilino)acetyl]pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(C(=O)CN(C)c2ccccc2Oc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C22H24N4O5/c1-25(16-10-6-7-11-18(16)31-15-8-4-3-5-9-15)14-17(27)19-20(23)26(12-13-30-2)22(29)24-21(19)28/h3-11H,12-14,23H2,1-2H3,(H,24,28,29)
InChIKeyOEPHKXWVSZUQHV-UHFFFAOYSA-N
XLogP1.88
TPSA119.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-amino-1-(2-methoxyethyl)-5-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione
CID 24665174
6-amino-5-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 24566387
6-amino-5-[2-[(2-methoxyphenyl)methyl-methylamino]acetyl]-1-propylpyrimidine-2,4-dione
CID 4851075
6-amino-1-(2-methoxyethyl)-5-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 24567591
6-amino-5-[2-(4-ethoxyphenyl)sulfanylacetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 42089527
6-amino-1-(2-methoxyethyl)-5-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 18227479
2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8007048
6-amino-5-[2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 56525760
6-amino-1-(2-methoxyethyl)-5-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 24571774
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-phenoxyacetate
CID 7697349
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-tert-butylphenoxy)propanamide
CID 16548948
6-amino-5-[2-[(2S)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 124738428

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-methoxyethyl)-5-[2-(N-methyl-2-phenoxyanilino)acetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(2-methoxyethyl)-5-[2-(N-methyl-2-phenoxyanilino)acetyl]pyrimidine-2,4-dione (CID 56549542) is 6-amino-1-(2-methoxyethyl)-5-[2-(N-methyl-2-phenoxyanilino)acetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(2-methoxyethyl)-5-[2-(N-methyl-2-phenoxyanilino)acetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(2-methoxyethyl)-5-[2-(N-methyl-2-phenoxyanilino)acetyl]pyrimidine-2,4-dione is COCCn1c(N)c(C(=O)CN(C)c2ccccc2Oc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-(2-methoxyethyl)-5-[2-(N-methyl-2-phenoxyanilino)acetyl]pyrimidine-2,4-dione?
The InChIKey is OEPHKXWVSZUQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-25(16-10-6-7-11-18(16)31-15-8-4-3-5-9-15)14-17(27)19-20(23)26(12-13-30-2)22(29)24-21(19)28/h3-11H,12-14,23H2,1-2H3,(H,24,28,29).
What are the key properties of 6-amino-1-(2-methoxyethyl)-5-[2-(N-methyl-2-phenoxyanilino)acetyl]pyrimidine-2,4-dione?
6-amino-1-(2-methoxyethyl)-5-[2-(N-methyl-2-phenoxyanilino)acetyl]pyrimidine-2,4-dione has a molecular weight of 424.46 g/mol, XLogP of 1.88, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-methoxyethyl)-5-[2-(N-methyl-2-phenoxyanilino)acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 56549542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).