2-benzyl-N-(2,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

C20H15Cl2N3S — CID 91964948

IUPAC2-benzyl-N-(2,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(Nc3cc(Cl)ccc3Cl)nc(Cc3ccccc3)nc2s1
InChIInChI=1S/C20H15Cl2N3S/c1-12-9-15-19(23-17-11-14(21)7-8-16(17)22)24-18(25-20(15)26-12)10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,23,24,25)
InChIKeyXURSZEJHGMFTMM-UHFFFAOYSA-N
MW400.33 g/mol
LogP6.64
Rot. Bonds4

About 2-benzyl-N-(2,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

2-benzyl-N-(2,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 91964948) has the molecular formula C20H15Cl2N3S and a molecular weight of 400.33 g/mol. Its IUPAC name is 2-benzyl-N-(2,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-N-(2,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID91964948
Molecular FormulaC20H15Cl2N3S
Molecular Weight400.33 g/mol
Exact Mass399.04
IUPAC Name2-benzyl-N-(2,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(Nc3cc(Cl)ccc3Cl)nc(Cc3ccccc3)nc2s1
InChIInChI=1S/C20H15Cl2N3S/c1-12-9-15-19(23-17-11-14(21)7-8-16(17)22)24-18(25-20(15)26-12)10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,23,24,25)
InChIKeyXURSZEJHGMFTMM-UHFFFAOYSA-N
XLogP6.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.33
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(2,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-benzyl-N-(2,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 91964948) is 2-benzyl-N-(2,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-N-(2,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-benzyl-N-(2,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(Nc3cc(Cl)ccc3Cl)nc(Cc3ccccc3)nc2s1.
What is the InChIKey of 2-benzyl-N-(2,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XURSZEJHGMFTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3S/c1-12-9-15-19(23-17-11-14(21)7-8-16(17)22)24-18(25-20(15)26-12)10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,23,24,25).
What are the key properties of 2-benzyl-N-(2,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
2-benzyl-N-(2,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 400.33 g/mol, XLogP of 6.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(2,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91964948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).