5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-methylpyridin-2-one;methanesulfonic acid

C15H16N4O5S — CID 24798371

IUPAC5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-methylpyridin-2-one;methanesulfonic acid
SMILESCS(=O)(=O)O.Cn1cc(-c2cnc(N)nc2-c2ccco2)ccc1=O
InChIInChI=1S/C14H12N4O2.CH4O3S/c1-18-8-9(4-5-12(18)19)10-7-16-14(15)17-13(10)11-3-2-6-20-11;1-5(2,3)4/h2-8H,1H3,(H2,15,16,17);1H3,(H,2,3,4)
InChIKeyVUEZTBXINOFKEZ-UHFFFAOYSA-N
MW364.38 g/mol
LogP1.19
Rot. Bonds2

About 5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-methylpyridin-2-one;methanesulfonic acid

5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-methylpyridin-2-one;methanesulfonic acid (PubChem CID 24798371) has the molecular formula C15H16N4O5S and a molecular weight of 364.38 g/mol. Its IUPAC name is 5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-methylpyridin-2-one;methanesulfonic acid.

Molecular Properties

Compound Name5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-methylpyridin-2-one;methanesulfonic acid
PubChem CID24798371
Molecular FormulaC15H16N4O5S
Molecular Weight364.38 g/mol
Exact Mass364.08
IUPAC Name5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-methylpyridin-2-one;methanesulfonic acid
SMILESCS(=O)(=O)O.Cn1cc(-c2cnc(N)nc2-c2ccco2)ccc1=O
InChIInChI=1S/C14H12N4O2.CH4O3S/c1-18-8-9(4-5-12(18)19)10-7-16-14(15)17-13(10)11-3-2-6-20-11;1-5(2,3)4/h2-8H,1H3,(H2,15,16,17);1H3,(H,2,3,4)
InChIKeyVUEZTBXINOFKEZ-UHFFFAOYSA-N
XLogP1.19
TPSA141.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Pyrimidine-4-carboxamide, 26
CID 11220580
Jak2-IN-4
CID 76072368
Pyrimidine-4-carboxamide, 91
CID 44520971
Pyrimidine-4-carboxamide, 93
CID 44520972
Pyrimidine-4-carboxamide, 92
CID 44520973
Pyrimidine-4-carboxamide, 94
CID 44520974
5-[2-amino-4-(2-furyl)pyrimidin-5-yl]-1-methylpyridin-2(1H)-one
CID 9814006
2-amino-6-(furan-2-yl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 11312454
2-amino-6-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 11380878
5-{[4''-(2-furyl)-4,5''-bipyrimidin-2''-yl]amino}pyridin-2(1H)-one
CID 11544506
N-(3,5-dimethylphenyl)-4-(furan-2-yl)pyrimidin-2-amine
CID 14347058
5-(2-Amino-pyrimidin-4-yl)-2-phenyl-furan-3-carboxamide
CID 49787901

Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-methylpyridin-2-one;methanesulfonic acid?
The IUPAC name of 5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-methylpyridin-2-one;methanesulfonic acid (CID 24798371) is 5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-methylpyridin-2-one;methanesulfonic acid.
What is the SMILES notation for 5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-methylpyridin-2-one;methanesulfonic acid?
The canonical SMILES for 5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-methylpyridin-2-one;methanesulfonic acid is CS(=O)(=O)O.Cn1cc(-c2cnc(N)nc2-c2ccco2)ccc1=O.
What is the InChIKey of 5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-methylpyridin-2-one;methanesulfonic acid?
The InChIKey is VUEZTBXINOFKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2.CH4O3S/c1-18-8-9(4-5-12(18)19)10-7-16-14(15)17-13(10)11-3-2-6-20-11;1-5(2,3)4/h2-8H,1H3,(H2,15,16,17);1H3,(H,2,3,4).
What are the key properties of 5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-methylpyridin-2-one;methanesulfonic acid?
5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-methylpyridin-2-one;methanesulfonic acid has a molecular weight of 364.38 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-methylpyridin-2-one;methanesulfonic acid is sourced from PubChem (CID 24798371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).