7-(dimethylamino)-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid

C15H17N5O5 — CID 66667901

IUPAC7-(dimethylamino)-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESCN1CCN(c2cc(N(C)C)cn3c(=O)c(O)c(C(=O)O)nc23)C1=O
InChIInChI=1S/C15H17N5O5/c1-17(2)8-6-9(19-5-4-18(3)15(19)25)12-16-10(14(23)24)11(21)13(22)20(12)7-8/h6-7,21H,4-5H2,1-3H3,(H,23,24)
InChIKeyCXEXYMBPBCGBDM-UHFFFAOYSA-N
MW347.33 g/mol
LogP0.04
Rot. Bonds3

About 7-(dimethylamino)-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid

7-(dimethylamino)-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 66667901) has the molecular formula C15H17N5O5 and a molecular weight of 347.33 g/mol. Its IUPAC name is 7-(dimethylamino)-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-(dimethylamino)-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID66667901
Molecular FormulaC15H17N5O5
Molecular Weight347.33 g/mol
Exact Mass347.12
IUPAC Name7-(dimethylamino)-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESCN1CCN(c2cc(N(C)C)cn3c(=O)c(O)c(C(=O)O)nc23)C1=O
InChIInChI=1S/C15H17N5O5/c1-17(2)8-6-9(19-5-4-18(3)15(19)25)12-16-10(14(23)24)11(21)13(22)20(12)7-8/h6-7,21H,4-5H2,1-3H3,(H,23,24)
InChIKeyCXEXYMBPBCGBDM-UHFFFAOYSA-N
XLogP0.04
TPSA118.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-(dimethylamino)-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid (CID 66667901) is 7-(dimethylamino)-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-(dimethylamino)-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-(dimethylamino)-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid is CN1CCN(c2cc(N(C)C)cn3c(=O)c(O)c(C(=O)O)nc23)C1=O.
What is the InChIKey of 7-(dimethylamino)-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is CXEXYMBPBCGBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O5/c1-17(2)8-6-9(19-5-4-18(3)15(19)25)12-16-10(14(23)24)11(21)13(22)20(12)7-8/h6-7,21H,4-5H2,1-3H3,(H,23,24).
What are the key properties of 7-(dimethylamino)-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
7-(dimethylamino)-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 347.33 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 66667901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).