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

C15H13Cl2N3S — CID 91965637

IUPACN-[(2,4-dichlorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ccc(Cl)cc2Cl)c2cc(C)sc2n1
InChIInChI=1S/C15H13Cl2N3S/c1-8-5-12-14(19-9(2)20-15(12)21-8)18-7-10-3-4-11(16)6-13(10)17/h3-6H,7H2,1-2H3,(H,18,19,20)
InChIKeyPINIITIQIDDOGN-UHFFFAOYSA-N
MW338.26 g/mol
LogP5.23
Rot. Bonds3

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

N-[(2,4-dichlorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 91965637) has the molecular formula C15H13Cl2N3S and a molecular weight of 338.26 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID91965637
Molecular FormulaC15H13Cl2N3S
Molecular Weight338.26 g/mol
Exact Mass337.02
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ccc(Cl)cc2Cl)c2cc(C)sc2n1
InChIInChI=1S/C15H13Cl2N3S/c1-8-5-12-14(19-9(2)20-15(12)21-8)18-7-10-3-4-11(16)6-13(10)17/h3-6H,7H2,1-2H3,(H,18,19,20)
InChIKeyPINIITIQIDDOGN-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 N-[(2,4-dichlorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 91965637) is N-[(2,4-dichlorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1nc(NCc2ccc(Cl)cc2Cl)c2cc(C)sc2n1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PINIITIQIDDOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3S/c1-8-5-12-14(19-9(2)20-15(12)21-8)18-7-10-3-4-11(16)6-13(10)17/h3-6H,7H2,1-2H3,(H,18,19,20).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-[(2,4-dichlorophenyl)methyl]-2,6-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 N-[(2,4-dichlorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91965637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).