N-benzyl-2,6-dichlorothieno[2,3-d]pyrimidin-4-amine

C13H9Cl2N3S — CID 18460199

IUPACN-benzyl-2,6-dichlorothieno[2,3-d]pyrimidin-4-amine
SMILESClc1nc(NCc2ccccc2)c2cc(Cl)sc2n1
InChIInChI=1S/C13H9Cl2N3S/c14-10-6-9-11(17-13(15)18-12(9)19-10)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,16,17,18)
InChIKeySIWGEPFTQFDTJA-UHFFFAOYSA-N
MW310.21 g/mol
LogP4.61
Rot. Bonds3

About N-benzyl-2,6-dichlorothieno[2,3-d]pyrimidin-4-amine

N-benzyl-2,6-dichlorothieno[2,3-d]pyrimidin-4-amine (PubChem CID 18460199) has the molecular formula C13H9Cl2N3S and a molecular weight of 310.21 g/mol. Its IUPAC name is N-benzyl-2,6-dichlorothieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2,6-dichlorothieno[2,3-d]pyrimidin-4-amine
PubChem CID18460199
Molecular FormulaC13H9Cl2N3S
Molecular Weight310.21 g/mol
Exact Mass308.99
IUPAC NameN-benzyl-2,6-dichlorothieno[2,3-d]pyrimidin-4-amine
SMILESClc1nc(NCc2ccccc2)c2cc(Cl)sc2n1
InChIInChI=1S/C13H9Cl2N3S/c14-10-6-9-11(17-13(15)18-12(9)19-10)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,16,17,18)
InChIKeySIWGEPFTQFDTJA-UHFFFAOYSA-N
XLogP4.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.21
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,6-dichlorothieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-2,6-dichlorothieno[2,3-d]pyrimidin-4-amine (CID 18460199) is N-benzyl-2,6-dichlorothieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2,6-dichlorothieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-2,6-dichlorothieno[2,3-d]pyrimidin-4-amine is Clc1nc(NCc2ccccc2)c2cc(Cl)sc2n1.
What is the InChIKey of N-benzyl-2,6-dichlorothieno[2,3-d]pyrimidin-4-amine?
The InChIKey is SIWGEPFTQFDTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3S/c14-10-6-9-11(17-13(15)18-12(9)19-10)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,16,17,18).
What are the key properties of N-benzyl-2,6-dichlorothieno[2,3-d]pyrimidin-4-amine?
N-benzyl-2,6-dichlorothieno[2,3-d]pyrimidin-4-amine has a molecular weight of 310.21 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,6-dichlorothieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18460199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).