2-(2,4-dichlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C13H11Cl2N3S — CID 83201654

IUPAC2-(2,4-dichlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(Cl)cc2Cl)nc2c1CSC2
InChIInChI=1S/C13H11Cl2N3S/c1-16-12-9-5-19-6-11(9)17-13(18-12)8-3-2-7(14)4-10(8)15/h2-4H,5-6H2,1H3,(H,16,17,18)
InChIKeyWGACHXZRZCXMOS-UHFFFAOYSA-N
MW312.23 g/mol
LogP4.24
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

2-(2,4-dichlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83201654) has the molecular formula C13H11Cl2N3S and a molecular weight of 312.23 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83201654
Molecular FormulaC13H11Cl2N3S
Molecular Weight312.23 g/mol
Exact Mass311.01
IUPAC Name2-(2,4-dichlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(Cl)cc2Cl)nc2c1CSC2
InChIInChI=1S/C13H11Cl2N3S/c1-16-12-9-5-19-6-11(9)17-13(18-12)8-3-2-7(14)4-10(8)15/h2-4H,5-6H2,1H3,(H,16,17,18)
InChIKeyWGACHXZRZCXMOS-UHFFFAOYSA-N
XLogP4.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83201654) is 2-(2,4-dichlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CNc1nc(-c2ccc(Cl)cc2Cl)nc2c1CSC2.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is WGACHXZRZCXMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3S/c1-16-12-9-5-19-6-11(9)17-13(18-12)8-3-2-7(14)4-10(8)15/h2-4H,5-6H2,1H3,(H,16,17,18).
What are the key properties of 2-(2,4-dichlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(2,4-dichlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 312.23 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83201654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).