5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol

C17H12ClN3OS — CID 82065977

IUPAC5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol
SMILESCc1cc2c(Nc3cccc4c(O)cccc34)nc(Cl)nc2s1
InChIInChI=1S/C17H12ClN3OS/c1-9-8-12-15(20-17(18)21-16(12)23-9)19-13-6-2-5-11-10(13)4-3-7-14(11)22/h2-8,22H,1H3,(H,19,20,21)
InChIKeyJIUPCXYTZVMTOF-UHFFFAOYSA-N
MW341.82 g/mol
LogP5.26
Rot. Bonds2

About 5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol

5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol (PubChem CID 82065977) has the molecular formula C17H12ClN3OS and a molecular weight of 341.82 g/mol. Its IUPAC name is 5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol.

Molecular Properties

Compound Name5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol
PubChem CID82065977
Molecular FormulaC17H12ClN3OS
Molecular Weight341.82 g/mol
Exact Mass341.04
IUPAC Name5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol
SMILESCc1cc2c(Nc3cccc4c(O)cccc34)nc(Cl)nc2s1
InChIInChI=1S/C17H12ClN3OS/c1-9-8-12-15(20-17(18)21-16(12)23-9)19-13-6-2-5-11-10(13)4-3-7-14(11)22/h2-8,22H,1H3,(H,19,20,21)
InChIKeyJIUPCXYTZVMTOF-UHFFFAOYSA-N
XLogP5.26
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.82
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-methyl-N-naphthalen-1-ylthieno[2,3-d]pyrimidin-4-amine
CID 82066002
3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
CID 82065960
2-chloro-6-methyl-N-quinolin-8-ylthieno[2,3-d]pyrimidin-4-amine
CID 82065968
2-chloro-N-(3,4-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 82065955
2-chloro-6-methyl-N-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320354
2-chloro-N-(2-chloro-4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320288
3-chloro-4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile
CID 107809560
N-(5-bromo-2-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320740
2-chloro-6-methyl-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320341
2-chloro-N-(3-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321082
N-(3-bromo-5-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 107576916
2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylphenol
CID 93214037

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol?
The IUPAC name of 5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol (CID 82065977) is 5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol.
What is the SMILES notation for 5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol?
The canonical SMILES for 5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol is Cc1cc2c(Nc3cccc4c(O)cccc34)nc(Cl)nc2s1.
What is the InChIKey of 5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol?
The InChIKey is JIUPCXYTZVMTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3OS/c1-9-8-12-15(20-17(18)21-16(12)23-9)19-13-6-2-5-11-10(13)4-3-7-14(11)22/h2-8,22H,1H3,(H,19,20,21).
What are the key properties of 5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol?
5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol has a molecular weight of 341.82 g/mol, XLogP of 5.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol is sourced from PubChem (CID 82065977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).