N-benzylthieno[2,3-d]pyrimidin-4-amine

C13H11N3S — CID 2139597

IUPACN-benzylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(CNc2ncnc3sccc23)cc1
InChIInChI=1S/C13H11N3S/c1-2-4-10(5-3-1)8-14-12-11-6-7-17-13(11)16-9-15-12/h1-7,9H,8H2,(H,14,15,16)
InChIKeyKAWLVBDVIYJPHS-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.30
Rot. Bonds3

About N-benzylthieno[2,3-d]pyrimidin-4-amine

N-benzylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 2139597) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is N-benzylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzylthieno[2,3-d]pyrimidin-4-amine
PubChem CID2139597
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC NameN-benzylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(CNc2ncnc3sccc23)cc1
InChIInChI=1S/C13H11N3S/c1-2-4-10(5-3-1)8-14-12-11-6-7-17-13(11)16-9-15-12/h1-7,9H,8H2,(H,14,15,16)
InChIKeyKAWLVBDVIYJPHS-UHFFFAOYSA-N
XLogP3.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-benzylthieno[2,3-d]pyrimidin-4-amine (CID 2139597) is N-benzylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-benzylthieno[2,3-d]pyrimidin-4-amine is c1ccc(CNc2ncnc3sccc23)cc1.
What is the InChIKey of N-benzylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KAWLVBDVIYJPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-2-4-10(5-3-1)8-14-12-11-6-7-17-13(11)16-9-15-12/h1-7,9H,8H2,(H,14,15,16).
What are the key properties of N-benzylthieno[2,3-d]pyrimidin-4-amine?
N-benzylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 241.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2139597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).