3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione

C16H18N4O3 — CID 18097307

IUPAC3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCc1ccn2c(=O)cc(CN3C(=O)NC(C(C)C)C3=O)nc2c1
InChIInChI=1S/C16H18N4O3/c1-9(2)14-15(22)20(16(23)18-14)8-11-7-13(21)19-5-4-10(3)6-12(19)17-11/h4-7,9,14H,8H2,1-3H3,(H,18,23)
InChIKeyMBJGCWIYZPKONZ-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.08
Rot. Bonds3

About 3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione

3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 18097307) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID18097307
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCc1ccn2c(=O)cc(CN3C(=O)NC(C(C)C)C3=O)nc2c1
InChIInChI=1S/C16H18N4O3/c1-9(2)14-15(22)20(16(23)18-14)8-11-7-13(21)19-5-4-10(3)6-12(19)17-11/h4-7,9,14H,8H2,1-3H3,(H,18,23)
InChIKeyMBJGCWIYZPKONZ-UHFFFAOYSA-N
XLogP1.08
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione (CID 18097307) is 3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione is Cc1ccn2c(=O)cc(CN3C(=O)NC(C(C)C)C3=O)nc2c1.
What is the InChIKey of 3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is MBJGCWIYZPKONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-9(2)14-15(22)20(16(23)18-14)8-11-7-13(21)19-5-4-10(3)6-12(19)17-11/h4-7,9,14H,8H2,1-3H3,(H,18,23).
What are the key properties of 3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione?
3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 314.35 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 18097307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).