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

C15H14ClN3OS — CID 93214032

IUPAC4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylphenol
SMILESCCc1cc2c(Nc3ccc(O)cc3C)nc(Cl)nc2s1
InChIInChI=1S/C15H14ClN3OS/c1-3-10-7-11-13(18-15(16)19-14(11)21-10)17-12-5-4-9(20)6-8(12)2/h4-7,20H,3H2,1-2H3,(H,17,18,19)
InChIKeyQUGDYXDHHNMIFR-UHFFFAOYSA-N
MW319.82 g/mol
LogP4.66
Rot. Bonds3

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

4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylphenol (PubChem CID 93214032) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is 4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylphenol.

Molecular Properties

Compound Name4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylphenol
PubChem CID93214032
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC Name4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylphenol
SMILESCCc1cc2c(Nc3ccc(O)cc3C)nc(Cl)nc2s1
InChIInChI=1S/C15H14ClN3OS/c1-3-10-7-11-13(18-15(16)19-14(11)21-10)17-12-5-4-9(20)6-8(12)2/h4-7,20H,3H2,1-2H3,(H,17,18,19)
InChIKeyQUGDYXDHHNMIFR-UHFFFAOYSA-N
XLogP4.66
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylphenol
CID 93214037
4-[2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 82066376
N-(4-chloro-2-methylphenyl)-6-ethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 171336432
2-chloro-N-(3-chloro-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 82066013
2-chloro-6-ethyl-N-[(4-methylthiophen-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103322136
4-[(2-chloro-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]-3-methylphenol
CID 82065936
2-[4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid
CID 82066014
2-chloro-N-(3-chloro-5-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 107368867
2-chloro-6-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321311
4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-methylphenol
CID 101088452
2-chloro-6-ethyl-N-[2-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 82066429
2-chloro-6-ethyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066432

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylphenol?
The IUPAC name of 4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylphenol (CID 93214032) is 4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylphenol.
What is the SMILES notation for 4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylphenol?
The canonical SMILES for 4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylphenol is CCc1cc2c(Nc3ccc(O)cc3C)nc(Cl)nc2s1.
What is the InChIKey of 4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylphenol?
The InChIKey is QUGDYXDHHNMIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c1-3-10-7-11-13(18-15(16)19-14(11)21-10)17-12-5-4-9(20)6-8(12)2/h4-7,20H,3H2,1-2H3,(H,17,18,19).
What are the key properties of 4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylphenol?
4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylphenol has a molecular weight of 319.82 g/mol, XLogP of 4.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylphenol is sourced from PubChem (CID 93214032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).