4-(methoxymethyl)-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylic acid

C13H15N3O3S — CID 91905880

IUPAC4-(methoxymethyl)-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylic acid
SMILESCOCc1nc(NCCc2cccs2)ncc1C(=O)O
InChIInChI=1S/C13H15N3O3S/c1-19-8-11-10(12(17)18)7-15-13(16-11)14-5-4-9-3-2-6-20-9/h2-3,6-7H,4-5,8H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyOIWZRJPCYHZXEP-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.04
Rot. Bonds7

About 4-(methoxymethyl)-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylic acid

4-(methoxymethyl)-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylic acid (PubChem CID 91905880) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(methoxymethyl)-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylic acid
PubChem CID91905880
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name4-(methoxymethyl)-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylic acid
SMILESCOCc1nc(NCCc2cccs2)ncc1C(=O)O
InChIInChI=1S/C13H15N3O3S/c1-19-8-11-10(12(17)18)7-15-13(16-11)14-5-4-9-3-2-6-20-9/h2-3,6-7H,4-5,8H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyOIWZRJPCYHZXEP-UHFFFAOYSA-N
XLogP2.04
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(methoxymethyl)-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide
CID 71237297
methyl 2-methyl-4-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylate
CID 114214014
4-[(2-thiophen-2-ylethylamino)methyl]pyrimidine-5-carboxylic acid
CID 103235532
2-(1,3-benzodioxol-5-ylmethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylic acid
CID 91905879
4-propyl-2-(thiophen-2-ylmethyl)pyrimidine-5-carboxylic acid
CID 55079363
6-methyl-2-(2-thiophen-2-ylethoxy)pyridine-3-carboxylic acid
CID 62702609
5-fluoro-N-propyl-4-(2-thiophen-2-ylethoxy)pyrimidin-2-amine
CID 80872490
2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide
CID 50985156
3-methoxy-2-(2-thiophen-2-ylethylamino)propanoic acid
CID 103235533
4-(methoxymethyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770290
4-hydrazinyl-6-methoxy-N-(2-thiophen-2-ylethyl)-1,3,5-triazin-2-amine
CID 80943741
methyl 4-methyl-6-(2-thiophen-2-ylethylamino)pyrimidine-2-carboxylate
CID 66287228

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(methoxymethyl)-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylic acid (CID 91905880) is 4-(methoxymethyl)-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(methoxymethyl)-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(methoxymethyl)-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylic acid is COCc1nc(NCCc2cccs2)ncc1C(=O)O.
What is the InChIKey of 4-(methoxymethyl)-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylic acid?
The InChIKey is OIWZRJPCYHZXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-19-8-11-10(12(17)18)7-15-13(16-11)14-5-4-9-3-2-6-20-9/h2-3,6-7H,4-5,8H2,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 4-(methoxymethyl)-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylic acid?
4-(methoxymethyl)-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylic acid has a molecular weight of 293.35 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 91905880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).