N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine

C11H15N3S — CID 43236191

IUPACN-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine
SMILESCCCC(C)Nc1ncnc2ccsc12
InChIInChI=1S/C11H15N3S/c1-3-4-8(2)14-11-10-9(5-6-15-10)12-7-13-11/h5-8H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyGOXXIOHZWNUPEL-UHFFFAOYSA-N
MW221.33 g/mol
LogP3.29
Rot. Bonds4

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

N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 43236191) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine
PubChem CID43236191
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC NameN-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine
SMILESCCCC(C)Nc1ncnc2ccsc12
InChIInChI=1S/C11H15N3S/c1-3-4-8(2)14-11-10-9(5-6-15-10)12-7-13-11/h5-8H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyGOXXIOHZWNUPEL-UHFFFAOYSA-N
XLogP3.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine (CID 43236191) is N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine is CCCC(C)Nc1ncnc2ccsc12.
What is the InChIKey of N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is GOXXIOHZWNUPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-3-4-8(2)14-11-10-9(5-6-15-10)12-7-13-11/h5-8H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine?
N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 221.33 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 43236191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).