2-chloro-N-(3,4-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

C13H8Cl3N3S — CID 82065955

IUPAC2-chloro-N-(3,4-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(Nc3ccc(Cl)c(Cl)c3)nc(Cl)nc2s1
InChIInChI=1S/C13H8Cl3N3S/c1-6-4-8-11(18-13(16)19-12(8)20-6)17-7-2-3-9(14)10(15)5-7/h2-5H,1H3,(H,17,18,19)
InChIKeyZJMDNTVLWJALML-UHFFFAOYSA-N
MW344.65 g/mol
LogP5.70
Rot. Bonds2

About 2-chloro-N-(3,4-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

2-chloro-N-(3,4-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 82065955) has the molecular formula C13H8Cl3N3S and a molecular weight of 344.65 g/mol. Its IUPAC name is 2-chloro-N-(3,4-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3,4-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID82065955
Molecular FormulaC13H8Cl3N3S
Molecular Weight344.65 g/mol
Exact Mass342.95
IUPAC Name2-chloro-N-(3,4-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(Nc3ccc(Cl)c(Cl)c3)nc(Cl)nc2s1
InChIInChI=1S/C13H8Cl3N3S/c1-6-4-8-11(18-13(16)19-12(8)20-6)17-7-2-3-9(14)10(15)5-7/h2-5H,1H3,(H,17,18,19)
InChIKeyZJMDNTVLWJALML-UHFFFAOYSA-N
XLogP5.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.65
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-methyl-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320341
3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
CID 82065960
2-chloro-N-(2-chloro-4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320288
N-(3-bromo-5-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 107576916
2-chloro-N-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066169
3-chloro-4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile
CID 107809560
2-chloro-N-(3-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321082
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
2-chloro-6-methyl-N-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320354
N-(5-bromo-2-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320740
2-chloro-N-(3-chloro-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 82066013

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,4-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(3,4-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 82065955) is 2-chloro-N-(3,4-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(3,4-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(3,4-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(Nc3ccc(Cl)c(Cl)c3)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-N-(3,4-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ZJMDNTVLWJALML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3N3S/c1-6-4-8-11(18-13(16)19-12(8)20-6)17-7-2-3-9(14)10(15)5-7/h2-5H,1H3,(H,17,18,19).
What are the key properties of 2-chloro-N-(3,4-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-(3,4-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 344.65 g/mol, XLogP of 5.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,4-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 82065955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).