2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one

C13H13N5OS — CID 135876321

IUPAC2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-n2nc(-c3cccs3)cc2N)[nH]c(=O)c1C
InChIInChI=1S/C13H13N5OS/c1-7-8(2)15-13(16-12(7)19)18-11(14)6-9(17-18)10-4-3-5-20-10/h3-6H,14H2,1-2H3,(H,15,16,19)
InChIKeyUSIAWHIXXGGYDA-UHFFFAOYSA-N
MW287.35 g/mol
LogP1.88
Rot. Bonds2

About 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one

2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 135876321) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID135876321
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-n2nc(-c3cccs3)cc2N)[nH]c(=O)c1C
InChIInChI=1S/C13H13N5OS/c1-7-8(2)15-13(16-12(7)19)18-11(14)6-9(17-18)10-4-3-5-20-10/h3-6H,14H2,1-2H3,(H,15,16,19)
InChIKeyUSIAWHIXXGGYDA-UHFFFAOYSA-N
XLogP1.88
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Thiophene-2-carboxylic acid (2,5-diphenyl-2H-pyrazol-3-yl)-amide
CID 11152155
5-Methyl-3-(thiophen-2-yl)-11-thia-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135875694
N-(1-methyl-3-phenyl-1H-pyrazol-5-yl)-2-thiophenecarboxamide
CID 2814958
5-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboxamide
CID 2123569
N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)thiophene-2-carboxamide
CID 2395532
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide
CID 2473799
N-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]cyclobutanecarboxamide
CID 2742763
1-(2-Methyl-5-phenylpyrazol-3-yl)-3-thiophen-2-ylurea
CID 2815277
Thiophene-3-carboxylic acid (2,5-diphenyl-2H-pyrazol-3-yl)-amide
CID 11371383
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(thiophen-2-yl)-1H-pyrazol-5-yl)-4-fluorobenzamide
CID 135881073
2,4-difluoro-N-(1-(4-isopropyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(thiophen-2-yl)-1H-pyrazol-5-yl)benzamide
CID 135912543
US10118930, Example 25
CID 137018450

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one (CID 135876321) is 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(-n2nc(-c3cccs3)cc2N)[nH]c(=O)c1C.
What is the InChIKey of 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is USIAWHIXXGGYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-7-8(2)15-13(16-12(7)19)18-11(14)6-9(17-18)10-4-3-5-20-10/h3-6H,14H2,1-2H3,(H,15,16,19).
What are the key properties of 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one?
2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 287.35 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135876321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).