2-chloro-N-[(2-chlorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C15H13Cl2N3S — CID 82066631

IUPAC2-chloro-N-[(2-chlorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(Cl)nc(NCc3ccccc3Cl)c2c1C
InChIInChI=1S/C15H13Cl2N3S/c1-8-9(2)21-14-12(8)13(19-15(17)20-14)18-7-10-5-3-4-6-11(10)16/h3-6H,7H2,1-2H3,(H,18,19,20)
InChIKeyCJYHVQFFUXFFFI-UHFFFAOYSA-N
MW338.26 g/mol
LogP5.23
Rot. Bonds3

About 2-chloro-N-[(2-chlorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

2-chloro-N-[(2-chlorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 82066631) has the molecular formula C15H13Cl2N3S and a molecular weight of 338.26 g/mol. Its IUPAC name is 2-chloro-N-[(2-chlorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(2-chlorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID82066631
Molecular FormulaC15H13Cl2N3S
Molecular Weight338.26 g/mol
Exact Mass337.02
IUPAC Name2-chloro-N-[(2-chlorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(Cl)nc(NCc3ccccc3Cl)c2c1C
InChIInChI=1S/C15H13Cl2N3S/c1-8-9(2)21-14-12(8)13(19-15(17)20-14)18-7-10-5-3-4-6-11(10)16/h3-6H,7H2,1-2H3,(H,18,19,20)
InChIKeyCJYHVQFFUXFFFI-UHFFFAOYSA-N
XLogP5.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.26
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-chlorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(2-chlorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 82066631) is 2-chloro-N-[(2-chlorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(2-chlorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(2-chlorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(Cl)nc(NCc3ccccc3Cl)c2c1C.
What is the InChIKey of 2-chloro-N-[(2-chlorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CJYHVQFFUXFFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3S/c1-8-9(2)21-14-12(8)13(19-15(17)20-14)18-7-10-5-3-4-6-11(10)16/h3-6H,7H2,1-2H3,(H,18,19,20).
What are the key properties of 2-chloro-N-[(2-chlorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-[(2-chlorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 338.26 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-chlorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 82066631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).