1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine

C13H19N3S — CID 63196494

IUPAC1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine
SMILESCCCC(N)Cc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C13H19N3S/c1-4-5-10(14)6-11-12-8(2)9(3)17-13(12)16-7-15-11/h7,10H,4-6,14H2,1-3H3
InChIKeyIVZKFINMBGVBPH-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.98
Rot. Bonds4

About 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine (PubChem CID 63196494) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine.

Molecular Properties

Compound Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine
PubChem CID63196494
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine
SMILESCCCC(N)Cc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C13H19N3S/c1-4-5-10(14)6-11-12-8(2)9(3)17-13(12)16-7-15-11/h7,10H,4-6,14H2,1-3H3
InChIKeyIVZKFINMBGVBPH-UHFFFAOYSA-N
XLogP2.98
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine?
The IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine (CID 63196494) is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine.
What is the SMILES notation for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine?
The canonical SMILES for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine is CCCC(N)Cc1ncnc2sc(C)c(C)c12.
What is the InChIKey of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine?
The InChIKey is IVZKFINMBGVBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-4-5-10(14)6-11-12-8(2)9(3)17-13(12)16-7-15-11/h7,10H,4-6,14H2,1-3H3.
What are the key properties of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine?
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine has a molecular weight of 249.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine is sourced from PubChem (CID 63196494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).