9-hydroxy-3-(2-hydroxyethyl)-2-methylpyrido[1,2-a]pyrimidin-4-one;sulfuric acid

C11H14N2O7S — CID 46851352

IUPAC9-hydroxy-3-(2-hydroxyethyl)-2-methylpyrido[1,2-a]pyrimidin-4-one;sulfuric acid
SMILESCc1nc2c(O)cccn2c(=O)c1CCO.O=S(=O)(O)O
InChIInChI=1S/C11H12N2O3.H2O4S/c1-7-8(4-6-14)11(16)13-5-2-3-9(15)10(13)12-7;1-5(2,3)4/h2-3,5,14-15H,4,6H2,1H3;(H2,1,2,3,4)
InChIKeyDLASVPOVZUPNJP-UHFFFAOYSA-N
MW318.31 g/mol
LogP-0.41
Rot. Bonds2

About 9-hydroxy-3-(2-hydroxyethyl)-2-methylpyrido[1,2-a]pyrimidin-4-one;sulfuric acid

9-hydroxy-3-(2-hydroxyethyl)-2-methylpyrido[1,2-a]pyrimidin-4-one;sulfuric acid (PubChem CID 46851352) has the molecular formula C11H14N2O7S and a molecular weight of 318.31 g/mol. Its IUPAC name is 9-hydroxy-3-(2-hydroxyethyl)-2-methylpyrido[1,2-a]pyrimidin-4-one;sulfuric acid.

Molecular Properties

Compound Name9-hydroxy-3-(2-hydroxyethyl)-2-methylpyrido[1,2-a]pyrimidin-4-one;sulfuric acid
PubChem CID46851352
Molecular FormulaC11H14N2O7S
Molecular Weight318.31 g/mol
Exact Mass318.05
IUPAC Name9-hydroxy-3-(2-hydroxyethyl)-2-methylpyrido[1,2-a]pyrimidin-4-one;sulfuric acid
SMILESCc1nc2c(O)cccn2c(=O)c1CCO.O=S(=O)(O)O
InChIInChI=1S/C11H12N2O3.H2O4S/c1-7-8(4-6-14)11(16)13-5-2-3-9(15)10(13)12-7;1-5(2,3)4/h2-3,5,14-15H,4,6H2,1H3;(H2,1,2,3,4)
InChIKeyDLASVPOVZUPNJP-UHFFFAOYSA-N
XLogP-0.41
TPSA149.43 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 5-0.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

9-hydroxy-3-(2-hydroxyethyl)-2-methylpyrido[1,2-a]pyrimidin-4-one;propanoic acid
CID 46851355
2-(9-hydroxy-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)ethyl hypofluorite
CID 143197131
3-benzyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 13243149
2-ethyl-9-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 59532553
2-ethyl-6-(2-hydroxyethyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17168379
3-(2-chloroethyl)-9-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 143787901
3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-9-(111C)methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 46209441
3-(4-bromophenyl)-6-(2-hydroxyethyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17147858
11-hydroxy-5-methyl-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
CID 77134861
9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile
CID 15136156
9-hydroxy-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 23651681
6-(2-hydroxyethyl)-7-methyl-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 155809201

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-3-(2-hydroxyethyl)-2-methylpyrido[1,2-a]pyrimidin-4-one;sulfuric acid?
The IUPAC name of 9-hydroxy-3-(2-hydroxyethyl)-2-methylpyrido[1,2-a]pyrimidin-4-one;sulfuric acid (CID 46851352) is 9-hydroxy-3-(2-hydroxyethyl)-2-methylpyrido[1,2-a]pyrimidin-4-one;sulfuric acid.
What is the SMILES notation for 9-hydroxy-3-(2-hydroxyethyl)-2-methylpyrido[1,2-a]pyrimidin-4-one;sulfuric acid?
The canonical SMILES for 9-hydroxy-3-(2-hydroxyethyl)-2-methylpyrido[1,2-a]pyrimidin-4-one;sulfuric acid is Cc1nc2c(O)cccn2c(=O)c1CCO.O=S(=O)(O)O.
What is the InChIKey of 9-hydroxy-3-(2-hydroxyethyl)-2-methylpyrido[1,2-a]pyrimidin-4-one;sulfuric acid?
The InChIKey is DLASVPOVZUPNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3.H2O4S/c1-7-8(4-6-14)11(16)13-5-2-3-9(15)10(13)12-7;1-5(2,3)4/h2-3,5,14-15H,4,6H2,1H3;(H2,1,2,3,4).
What are the key properties of 9-hydroxy-3-(2-hydroxyethyl)-2-methylpyrido[1,2-a]pyrimidin-4-one;sulfuric acid?
9-hydroxy-3-(2-hydroxyethyl)-2-methylpyrido[1,2-a]pyrimidin-4-one;sulfuric acid has a molecular weight of 318.31 g/mol, XLogP of -0.41, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-3-(2-hydroxyethyl)-2-methylpyrido[1,2-a]pyrimidin-4-one;sulfuric acid is sourced from PubChem (CID 46851352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).