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

C15H14ClN3OS — CID 93214037

IUPAC2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylphenol
SMILESCCc1cc2c(Nc3cc(C)ccc3O)nc(Cl)nc2s1
InChIInChI=1S/C15H14ClN3OS/c1-3-9-7-10-13(18-15(16)19-14(10)21-9)17-11-6-8(2)4-5-12(11)20/h4-7,20H,3H2,1-2H3,(H,17,18,19)
InChIKeyRRFWDZPFWUQYFV-UHFFFAOYSA-N
MW319.82 g/mol
LogP4.66
Rot. Bonds3

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

2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylphenol (PubChem CID 93214037) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is 2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylphenol.

Molecular Properties

Compound Name2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylphenol
PubChem CID93214037
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC Name2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylphenol
SMILESCCc1cc2c(Nc3cc(C)ccc3O)nc(Cl)nc2s1
InChIInChI=1S/C15H14ClN3OS/c1-3-9-7-10-13(18-15(16)19-14(10)21-9)17-11-6-8(2)4-5-12(11)20/h4-7,20H,3H2,1-2H3,(H,17,18,19)
InChIKeyRRFWDZPFWUQYFV-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': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylphenol
CID 93214032
4-N-(2-bromo-5-methylphenyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329440
2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methylphenol
CID 22692956
2-chloro-N-(3-chloro-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 82066013
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
4-[2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 82066376
2-benzyl-N-(2,5-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 91964785
2-chloro-4-(2-chloro-4-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidine
CID 103320088
5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol
CID 82065977
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 2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylphenol?
The IUPAC name of 2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylphenol (CID 93214037) is 2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylphenol.
What is the SMILES notation for 2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylphenol?
The canonical SMILES for 2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylphenol is CCc1cc2c(Nc3cc(C)ccc3O)nc(Cl)nc2s1.
What is the InChIKey of 2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylphenol?
The InChIKey is RRFWDZPFWUQYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c1-3-9-7-10-13(18-15(16)19-14(10)21-9)17-11-6-8(2)4-5-12(11)20/h4-7,20H,3H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylphenol?
2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-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 2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylphenol is sourced from PubChem (CID 93214037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).