2-chloro-N-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine

C14H12ClN3S — CID 82066336

IUPAC2-chloro-N-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(Cl)nc2scc(-c3ccc(C)cc3)c12
InChIInChI=1S/C14H12ClN3S/c1-8-3-5-9(6-4-8)10-7-19-13-11(10)12(16-2)17-14(15)18-13/h3-7H,1-2H3,(H,16,17,18)
InChIKeyWURFRMLZQWMTKL-UHFFFAOYSA-N
MW289.79 g/mol
LogP4.36
Rot. Bonds2

About 2-chloro-N-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine

2-chloro-N-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 82066336) has the molecular formula C14H12ClN3S and a molecular weight of 289.79 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID82066336
Molecular FormulaC14H12ClN3S
Molecular Weight289.79 g/mol
Exact Mass289.04
IUPAC Name2-chloro-N-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(Cl)nc2scc(-c3ccc(C)cc3)c12
InChIInChI=1S/C14H12ClN3S/c1-8-3-5-9(6-4-8)10-7-19-13-11(10)12(16-2)17-14(15)18-13/h3-7H,1-2H3,(H,16,17,18)
InChIKeyWURFRMLZQWMTKL-UHFFFAOYSA-N
XLogP4.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 82066336) is 2-chloro-N-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine is CNc1nc(Cl)nc2scc(-c3ccc(C)cc3)c12.
What is the InChIKey of 2-chloro-N-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WURFRMLZQWMTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3S/c1-8-3-5-9(6-4-8)10-7-19-13-11(10)12(16-2)17-14(15)18-13/h3-7H,1-2H3,(H,16,17,18).
What are the key properties of 2-chloro-N-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 289.79 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 82066336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).