2-[(4-propoxypyrimidin-2-yl)amino]-2-thiophen-2-ylacetic acid

C13H15N3O3S — CID 115974224

IUPAC2-[(4-propoxypyrimidin-2-yl)amino]-2-thiophen-2-ylacetic acid
SMILESCCCOc1ccnc(NC(C(=O)O)c2cccs2)n1
InChIInChI=1S/C13H15N3O3S/c1-2-7-19-10-5-6-14-13(15-10)16-11(12(17)18)9-4-3-8-20-9/h3-6,8,11H,2,7H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyVWJHJQUFVNJLGM-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.56
Rot. Bonds7

About 2-[(4-propoxypyrimidin-2-yl)amino]-2-thiophen-2-ylacetic acid

2-[(4-propoxypyrimidin-2-yl)amino]-2-thiophen-2-ylacetic acid (PubChem CID 115974224) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-[(4-propoxypyrimidin-2-yl)amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(4-propoxypyrimidin-2-yl)amino]-2-thiophen-2-ylacetic acid
PubChem CID115974224
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name2-[(4-propoxypyrimidin-2-yl)amino]-2-thiophen-2-ylacetic acid
SMILESCCCOc1ccnc(NC(C(=O)O)c2cccs2)n1
InChIInChI=1S/C13H15N3O3S/c1-2-7-19-10-5-6-14-13(15-10)16-11(12(17)18)9-4-3-8-20-9/h3-6,8,11H,2,7H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyVWJHJQUFVNJLGM-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-propoxypyrimidin-4-yl)amino]-2-thiophen-2-ylacetic acid
CID 115284507
2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-thiophen-2-ylacetic acid
CID 115354802
4-methyl-2-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636043
3-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636245
4-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636105
methyl 3-hydroxy-2-[(4-propoxypyrimidin-2-yl)amino]propanoate
CID 112638932
3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol
CID 112638477
N-(1-phenylpropan-2-yl)-4-propoxypyrimidin-2-amine
CID 115975024
N-(3-methylpentan-2-yl)-4-propoxypyrimidin-2-amine
CID 112637141
2-[(3-ethoxycarbonyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid
CID 115284414
2-methyl-5-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 104683082
4-methyl-6-propoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 112636733

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propoxypyrimidin-2-yl)amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(4-propoxypyrimidin-2-yl)amino]-2-thiophen-2-ylacetic acid (CID 115974224) is 2-[(4-propoxypyrimidin-2-yl)amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(4-propoxypyrimidin-2-yl)amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(4-propoxypyrimidin-2-yl)amino]-2-thiophen-2-ylacetic acid is CCCOc1ccnc(NC(C(=O)O)c2cccs2)n1.
What is the InChIKey of 2-[(4-propoxypyrimidin-2-yl)amino]-2-thiophen-2-ylacetic acid?
The InChIKey is VWJHJQUFVNJLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-2-7-19-10-5-6-14-13(15-10)16-11(12(17)18)9-4-3-8-20-9/h3-6,8,11H,2,7H2,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-[(4-propoxypyrimidin-2-yl)amino]-2-thiophen-2-ylacetic acid?
2-[(4-propoxypyrimidin-2-yl)amino]-2-thiophen-2-ylacetic acid has a molecular weight of 293.35 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propoxypyrimidin-2-yl)amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115974224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).