2-[4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid

C16H14ClN3O2S — CID 82066014

IUPAC2-[4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid
SMILESCCc1cc2c(Nc3ccc(CC(=O)O)cc3)nc(Cl)nc2s1
InChIInChI=1S/C16H14ClN3O2S/c1-2-11-8-12-14(19-16(17)20-15(12)23-11)18-10-5-3-9(4-6-10)7-13(21)22/h3-6,8H,2,7H2,1H3,(H,21,22)(H,18,19,20)
InChIKeyQSGPDTYYBNPTOQ-UHFFFAOYSA-N
MW347.83 g/mol
LogP4.28
Rot. Bonds5

About 2-[4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid

2-[4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid (PubChem CID 82066014) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is 2-[4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid
PubChem CID82066014
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC Name2-[4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid
SMILESCCc1cc2c(Nc3ccc(CC(=O)O)cc3)nc(Cl)nc2s1
InChIInChI=1S/C16H14ClN3O2S/c1-2-11-8-12-14(19-16(17)20-15(12)23-11)18-10-5-3-9(4-6-10)7-13(21)22/h3-6,8H,2,7H2,1H3,(H,21,22)(H,18,19,20)
InChIKeyQSGPDTYYBNPTOQ-UHFFFAOYSA-N
XLogP4.28
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid with MolForge

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Related Compounds

2-[4-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid
CID 82066106
2-chloro-N-(3-chloro-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 82066013
2-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]acetic acid
CID 22693237
2-chloro-N-(3-chloro-5-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 107368867
4-[(6-ethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid
CID 16627344
2-benzyl-N-(4-chlorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 91964737
2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylphenol
CID 93214037
4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylphenol
CID 93214032
2-chloro-6-ethyl-N-[2-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 82066429
4-[2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 82066376
2-chloro-6-ethyl-N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 82066400
4-amino-2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-oxobutanoic acid
CID 82066413

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid (CID 82066014) is 2-[4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid is CCc1cc2c(Nc3ccc(CC(=O)O)cc3)nc(Cl)nc2s1.
What is the InChIKey of 2-[4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid?
The InChIKey is QSGPDTYYBNPTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c1-2-11-8-12-14(19-16(17)20-15(12)23-11)18-10-5-3-9(4-6-10)7-13(21)22/h3-6,8H,2,7H2,1H3,(H,21,22)(H,18,19,20).
What are the key properties of 2-[4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid?
2-[4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid has a molecular weight of 347.83 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid is sourced from PubChem (CID 82066014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).