3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol

C13H10ClN3OS — CID 82065960

IUPAC3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
SMILESCc1cc2c(Nc3cccc(O)c3)nc(Cl)nc2s1
InChIInChI=1S/C13H10ClN3OS/c1-7-5-10-11(16-13(14)17-12(10)19-7)15-8-3-2-4-9(18)6-8/h2-6,18H,1H3,(H,15,16,17)
InChIKeyAGNDIITWQCYUPM-UHFFFAOYSA-N
MW291.76 g/mol
LogP4.10
Rot. Bonds2

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

3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol (PubChem CID 82065960) has the molecular formula C13H10ClN3OS and a molecular weight of 291.76 g/mol. Its IUPAC name is 3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol.

Molecular Properties

Compound Name3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
PubChem CID82065960
Molecular FormulaC13H10ClN3OS
Molecular Weight291.76 g/mol
Exact Mass291.02
IUPAC Name3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
SMILESCc1cc2c(Nc3cccc(O)c3)nc(Cl)nc2s1
InChIInChI=1S/C13H10ClN3OS/c1-7-5-10-11(16-13(14)17-12(10)19-7)15-8-3-2-4-9(18)6-8/h2-6,18H,1H3,(H,15,16,17)
InChIKeyAGNDIITWQCYUPM-UHFFFAOYSA-N
XLogP4.10
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-methyl-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320341
2-chloro-N-(3,4-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 82065955
2-chloro-N-(3-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321082
3-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
CID 93214059
5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol
CID 82065977
2-chloro-6-methyl-N-naphthalen-1-ylthieno[2,3-d]pyrimidin-4-amine
CID 82066002
3-[(2-chloroquinazolin-4-yl)amino]phenol
CID 22692943
N-(3-bromo-5-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 107576916
2-chloro-N-(2-chloro-4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320288
2-chloro-6-methyl-N-quinolin-8-ylthieno[2,3-d]pyrimidin-4-amine
CID 82065968
2-chloro-6-methyl-N-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320354
3-chloro-4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile
CID 107809560

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol?
The IUPAC name of 3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol (CID 82065960) is 3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol.
What is the SMILES notation for 3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol?
The canonical SMILES for 3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol is Cc1cc2c(Nc3cccc(O)c3)nc(Cl)nc2s1.
What is the InChIKey of 3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol?
The InChIKey is AGNDIITWQCYUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3OS/c1-7-5-10-11(16-13(14)17-12(10)19-7)15-8-3-2-4-9(18)6-8/h2-6,18H,1H3,(H,15,16,17).
What are the key properties of 3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol?
3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol has a molecular weight of 291.76 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol is sourced from PubChem (CID 82065960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).