2-[[6-(5-chlorothiophen-2-yl)pyrimidin-4-yl]amino]acetic acid

C10H8ClN3O2S — CID 82488057

IUPAC2-[[6-(5-chlorothiophen-2-yl)pyrimidin-4-yl]amino]acetic acid
SMILESO=C(O)CNc1cc(-c2ccc(Cl)s2)ncn1
InChIInChI=1S/C10H8ClN3O2S/c11-8-2-1-7(17-8)6-3-9(14-5-13-6)12-4-10(15)16/h1-3,5H,4H2,(H,15,16)(H,12,13,14)
InChIKeyVTUWNPDAJIPDCO-UHFFFAOYSA-N
MW269.71 g/mol
LogP2.36
Rot. Bonds4

About 2-[[6-(5-chlorothiophen-2-yl)pyrimidin-4-yl]amino]acetic acid

2-[[6-(5-chlorothiophen-2-yl)pyrimidin-4-yl]amino]acetic acid (PubChem CID 82488057) has the molecular formula C10H8ClN3O2S and a molecular weight of 269.71 g/mol. Its IUPAC name is 2-[[6-(5-chlorothiophen-2-yl)pyrimidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[6-(5-chlorothiophen-2-yl)pyrimidin-4-yl]amino]acetic acid
PubChem CID82488057
Molecular FormulaC10H8ClN3O2S
Molecular Weight269.71 g/mol
Exact Mass269.00
IUPAC Name2-[[6-(5-chlorothiophen-2-yl)pyrimidin-4-yl]amino]acetic acid
SMILESO=C(O)CNc1cc(-c2ccc(Cl)s2)ncn1
InChIInChI=1S/C10H8ClN3O2S/c11-8-2-1-7(17-8)6-3-9(14-5-13-6)12-4-10(15)16/h1-3,5H,4H2,(H,15,16)(H,12,13,14)
InChIKeyVTUWNPDAJIPDCO-UHFFFAOYSA-N
XLogP2.36
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-chloropyrimidin-4-yl)amino]acetic acid;hydrochloride
CID 134263966
2-[[6-(2,5-difluorophenyl)pyrimidin-4-yl]amino]acetic acid
CID 82486546
2-[(6-ethylpyrimidin-4-yl)amino]acetic acid
CID 61236041
2-[[5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]acetic acid
CID 66591784
2-[(6-cyclobutylpyrimidin-4-yl)amino]acetic acid
CID 126848131
2-[(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid
CID 66334030
2-[6-(5-chlorothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid
CID 56665623
3-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]propanoic acid
CID 82484902
methyl 2-[5-[6-[2-(4-bromophenyl)ethylamino]pyrimidin-4-yl]thiophen-2-yl]acetate
CID 135381280
4-[[(6-chloropyrimidin-4-yl)amino]methyl]benzoic acid
CID 153383994
methyl 5-(6-chloropyrimidin-4-yl)thiophene-2-carboxylate
CID 150682087
2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]amino]acetic acid
CID 82475711

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(5-chlorothiophen-2-yl)pyrimidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[[6-(5-chlorothiophen-2-yl)pyrimidin-4-yl]amino]acetic acid (CID 82488057) is 2-[[6-(5-chlorothiophen-2-yl)pyrimidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[[6-(5-chlorothiophen-2-yl)pyrimidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[[6-(5-chlorothiophen-2-yl)pyrimidin-4-yl]amino]acetic acid is O=C(O)CNc1cc(-c2ccc(Cl)s2)ncn1.
What is the InChIKey of 2-[[6-(5-chlorothiophen-2-yl)pyrimidin-4-yl]amino]acetic acid?
The InChIKey is VTUWNPDAJIPDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2S/c11-8-2-1-7(17-8)6-3-9(14-5-13-6)12-4-10(15)16/h1-3,5H,4H2,(H,15,16)(H,12,13,14).
What are the key properties of 2-[[6-(5-chlorothiophen-2-yl)pyrimidin-4-yl]amino]acetic acid?
2-[[6-(5-chlorothiophen-2-yl)pyrimidin-4-yl]amino]acetic acid has a molecular weight of 269.71 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(5-chlorothiophen-2-yl)pyrimidin-4-yl]amino]acetic acid is sourced from PubChem (CID 82488057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).