(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2,5-dioxoimidazolidin-1-yl)butanoate

C17H18N4O5 — CID 8588347

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2,5-dioxoimidazolidin-1-yl)butanoate
SMILESCc1ccc2nc(COC(=O)CCCN3C(=O)CNC3=O)cc(=O)n2c1
InChIInChI=1S/C17H18N4O5/c1-11-4-5-13-19-12(7-14(22)21(13)9-11)10-26-16(24)3-2-6-20-15(23)8-18-17(20)25/h4-5,7,9H,2-3,6,8,10H2,1H3,(H,18,25)
InChIKeyOQSHVAWKOFTYCU-UHFFFAOYSA-N
MW358.35 g/mol
LogP0.38
Rot. Bonds6

About (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2,5-dioxoimidazolidin-1-yl)butanoate

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2,5-dioxoimidazolidin-1-yl)butanoate (PubChem CID 8588347) has the molecular formula C17H18N4O5 and a molecular weight of 358.35 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2,5-dioxoimidazolidin-1-yl)butanoate.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2,5-dioxoimidazolidin-1-yl)butanoate
PubChem CID8588347
Molecular FormulaC17H18N4O5
Molecular Weight358.35 g/mol
Exact Mass358.13
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2,5-dioxoimidazolidin-1-yl)butanoate
SMILESCc1ccc2nc(COC(=O)CCCN3C(=O)CNC3=O)cc(=O)n2c1
InChIInChI=1S/C17H18N4O5/c1-11-4-5-13-19-12(7-14(22)21(13)9-11)10-26-16(24)3-2-6-20-15(23)8-18-17(20)25/h4-5,7,9H,2-3,6,8,10H2,1H3,(H,18,25)
InChIKeyOQSHVAWKOFTYCU-UHFFFAOYSA-N
XLogP0.38
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 9061727
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 7737415
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate
CID 55495844
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (3R)-3-cyclopropylbutanoate
CID 95234068
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3,4-dimethylphenyl)acetate
CID 7548236
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(4-chloro-2-methylphenoxy)butanoate
CID 7542146
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-phenylacetate
CID 7542151
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 8521234
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(4-chlorobenzoyl)amino]propanoate
CID 8522920
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-aminobenzoate
CID 7494667
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-4-thiophen-2-ylbutanoate
CID 7537217
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(2-methoxyphenoxy)propanoate
CID 42915178

Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2,5-dioxoimidazolidin-1-yl)butanoate?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2,5-dioxoimidazolidin-1-yl)butanoate (CID 8588347) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2,5-dioxoimidazolidin-1-yl)butanoate.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2,5-dioxoimidazolidin-1-yl)butanoate?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2,5-dioxoimidazolidin-1-yl)butanoate is Cc1ccc2nc(COC(=O)CCCN3C(=O)CNC3=O)cc(=O)n2c1.
What is the InChIKey of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2,5-dioxoimidazolidin-1-yl)butanoate?
The InChIKey is OQSHVAWKOFTYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O5/c1-11-4-5-13-19-12(7-14(22)21(13)9-11)10-26-16(24)3-2-6-20-15(23)8-18-17(20)25/h4-5,7,9H,2-3,6,8,10H2,1H3,(H,18,25).
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2,5-dioxoimidazolidin-1-yl)butanoate?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2,5-dioxoimidazolidin-1-yl)butanoate has a molecular weight of 358.35 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2,5-dioxoimidazolidin-1-yl)butanoate is sourced from PubChem (CID 8588347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).