2-(3-aminothiophen-2-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid

C10H9N3O4S — CID 68884349

IUPAC2-(3-aminothiophen-2-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid
SMILESCn1c(-c2sccc2N)nc(C(=O)O)c(O)c1=O
InChIInChI=1S/C10H9N3O4S/c1-13-8(7-4(11)2-3-18-7)12-5(10(16)17)6(14)9(13)15/h2-3,14H,11H2,1H3,(H,16,17)
InChIKeyUDSURMOFZZNDNI-UHFFFAOYSA-N
MW267.27 g/mol
LogP0.49
Rot. Bonds2

About 2-(3-aminothiophen-2-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid

2-(3-aminothiophen-2-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid (PubChem CID 68884349) has the molecular formula C10H9N3O4S and a molecular weight of 267.27 g/mol. Its IUPAC name is 2-(3-aminothiophen-2-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-aminothiophen-2-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid
PubChem CID68884349
Molecular FormulaC10H9N3O4S
Molecular Weight267.27 g/mol
Exact Mass267.03
IUPAC Name2-(3-aminothiophen-2-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid
SMILESCn1c(-c2sccc2N)nc(C(=O)O)c(O)c1=O
InChIInChI=1S/C10H9N3O4S/c1-13-8(7-4(11)2-3-18-7)12-5(10(16)17)6(14)9(13)15/h2-3,14H,11H2,1H3,(H,16,17)
InChIKeyUDSURMOFZZNDNI-UHFFFAOYSA-N
XLogP0.49
TPSA118.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-Hydroxy-1-methyl-6-oxo-2-(2-thienyl)pyrimidine-4-carboxylic acid
CID 54727893
5,6-Dihydroxy-2-thiophen-2-yl-pyrimidine-4-carboxylic acid
CID 135433415
5,6-Dihydroxy-2-(3-nitro-2-thienyl)pyrimidine-4-carboxylic acid
CID 135465482
5-Hydroxy-1-methyl-2-(3-nitro-2-thienyl)-6-oxo-pyrimidine-4-carboxylic acid
CID 54717319
(3-Amino-2-thienyl)-5,6-dihydroxypyrimidine-4-carboxylic acid
CID 135434542
5,6-Dihydroxy-2-(3-methyl-2-thienyl)pyrimidine-4-carboxylic acid
CID 135434570
1-Allyl-5-hydroxy-2-(3-nitro-2-thienyl)-6-oxo-pyrimidine-4-carboxylic acid
CID 54713243
5,6-Dihydroxy-2-(5-methyl-2-thienyl)pyrimidine-4-carboxylic acid
CID 135434622
5,6-Dihydroxy-2-[3-[[2-(2-thienyl)acetyl]amino]-2-thienyl]pyrimidine-4-carboxylic acid
CID 135434429
5,6-Dihydroxy-2-[3-(2-thienylmethylcarbamoylamino)-2-thienyl]pyrimidine-4-carboxylic acid
CID 135434445
2-[3-(2,2-Dimethylpropoxycarbonylamino)-2-thienyl]-5,6-dihydroxy-pyrimidine-4-carboxylic acid
CID 135434477
5,6-Dihydroxy-2-[3-(isobutoxycarbonylamino)-2-thienyl]pyrimidine-4-carboxylic acid
CID 135434485

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminothiophen-2-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid?
The IUPAC name of 2-(3-aminothiophen-2-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid (CID 68884349) is 2-(3-aminothiophen-2-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(3-aminothiophen-2-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(3-aminothiophen-2-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid is Cn1c(-c2sccc2N)nc(C(=O)O)c(O)c1=O.
What is the InChIKey of 2-(3-aminothiophen-2-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid?
The InChIKey is UDSURMOFZZNDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4S/c1-13-8(7-4(11)2-3-18-7)12-5(10(16)17)6(14)9(13)15/h2-3,14H,11H2,1H3,(H,16,17).
What are the key properties of 2-(3-aminothiophen-2-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid?
2-(3-aminothiophen-2-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid has a molecular weight of 267.27 g/mol, XLogP of 0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminothiophen-2-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid is sourced from PubChem (CID 68884349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).