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

C15H15N3S — CID 10563923

IUPACN-benzyl-2-ethylthieno[3,2-d]pyrimidin-4-amine
SMILESCCc1nc(NCc2ccccc2)c2sccc2n1
InChIInChI=1S/C15H15N3S/c1-2-13-17-12-8-9-19-14(12)15(18-13)16-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,16,17,18)
InChIKeyHFYAPCKHRWMDQR-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.87
Rot. Bonds4

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

N-benzyl-2-ethylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 10563923) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-benzyl-2-ethylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-ethylthieno[3,2-d]pyrimidin-4-amine
PubChem CID10563923
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC NameN-benzyl-2-ethylthieno[3,2-d]pyrimidin-4-amine
SMILESCCc1nc(NCc2ccccc2)c2sccc2n1
InChIInChI=1S/C15H15N3S/c1-2-13-17-12-8-9-19-14(12)15(18-13)16-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,16,17,18)
InChIKeyHFYAPCKHRWMDQR-UHFFFAOYSA-N
XLogP3.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-ethylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-2-ethylthieno[3,2-d]pyrimidin-4-amine (CID 10563923) is N-benzyl-2-ethylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-ethylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-ethylthieno[3,2-d]pyrimidin-4-amine is CCc1nc(NCc2ccccc2)c2sccc2n1.
What is the InChIKey of N-benzyl-2-ethylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is HFYAPCKHRWMDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-2-13-17-12-8-9-19-14(12)15(18-13)16-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,16,17,18).
What are the key properties of N-benzyl-2-ethylthieno[3,2-d]pyrimidin-4-amine?
N-benzyl-2-ethylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 269.37 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-ethylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 10563923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).