4-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-5-carboxylic acid

C11H10ClN3O2S — CID 114214874

IUPAC4-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1NCCc1ccc(Cl)s1
InChIInChI=1S/C11H10ClN3O2S/c12-9-2-1-7(18-9)3-4-14-10-8(11(16)17)5-13-6-15-10/h1-2,5-6H,3-4H2,(H,16,17)(H,13,14,15)
InChIKeyQFNGFTJOQFFSDG-UHFFFAOYSA-N
MW283.74 g/mol
LogP2.54
Rot. Bonds5

About 4-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-5-carboxylic acid

4-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-5-carboxylic acid (PubChem CID 114214874) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is 4-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-5-carboxylic acid
PubChem CID114214874
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC Name4-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1NCCc1ccc(Cl)s1
InChIInChI=1S/C11H10ClN3O2S/c12-9-2-1-7(18-9)3-4-14-10-8(11(16)17)5-13-6-15-10/h1-2,5-6H,3-4H2,(H,16,17)(H,13,14,15)
InChIKeyQFNGFTJOQFFSDG-UHFFFAOYSA-N
XLogP2.54
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carboxylic acid
CID 106039624
4-[2-(2-methylphenyl)ethylamino]pyrimidine-5-carboxylic acid
CID 115148987
5-amino-6-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 114139636
5-bromo-4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N-ethylpyrimidine-4,6-diamine
CID 106042391
2-[2-(5-chlorothiophen-2-yl)ethylamino]-1,3-oxazole-4-carboxylic acid
CID 106035152
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-fluoropyridin-2-amine
CID 106039969
2-chloro-4-N-[2-(5-chlorothiophen-2-yl)ethyl]pyrimidine-4,5-diamine
CID 114139324
4-[1-(5-methylthiophen-2-yl)propan-2-ylamino]pyrimidine-5-carboxylic acid
CID 114214452
4-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-nitropyrimidine-4,6-diamine
CID 106042487
4-(2-methylpropylamino)pyrimidine-5-carboxylic acid
CID 28905979
5-chloro-4-[2-(5-chlorothiophen-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136908662

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-5-carboxylic acid (CID 114214874) is 4-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-5-carboxylic acid is O=C(O)c1cncnc1NCCc1ccc(Cl)s1.
What is the InChIKey of 4-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-5-carboxylic acid?
The InChIKey is QFNGFTJOQFFSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c12-9-2-1-7(18-9)3-4-14-10-8(11(16)17)5-13-6-15-10/h1-2,5-6H,3-4H2,(H,16,17)(H,13,14,15).
What are the key properties of 4-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-5-carboxylic acid?
4-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-5-carboxylic acid has a molecular weight of 283.74 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 114214874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).