N-butyl-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C14H21N3S — CID 91965462

IUPACN-butyl-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCCNc1nc(CC)nc2sc(C)c(C)c12
InChIInChI=1S/C14H21N3S/c1-5-7-8-15-13-12-9(3)10(4)18-14(12)17-11(6-2)16-13/h5-8H2,1-4H3,(H,15,16,17)
InChIKeyKFGRTGPJYLLJST-UHFFFAOYSA-N
MW263.41 g/mol
LogP4.08
Rot. Bonds5

About N-butyl-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

N-butyl-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 91965462) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-butyl-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID91965462
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-butyl-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCCNc1nc(CC)nc2sc(C)c(C)c12
InChIInChI=1S/C14H21N3S/c1-5-7-8-15-13-12-9(3)10(4)18-14(12)17-11(6-2)16-13/h5-8H2,1-4H3,(H,15,16,17)
InChIKeyKFGRTGPJYLLJST-UHFFFAOYSA-N
XLogP4.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-butyl-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 91965462) is N-butyl-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-butyl-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-butyl-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is CCCCNc1nc(CC)nc2sc(C)c(C)c12.
What is the InChIKey of N-butyl-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KFGRTGPJYLLJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-5-7-8-15-13-12-9(3)10(4)18-14(12)17-11(6-2)16-13/h5-8H2,1-4H3,(H,15,16,17).
What are the key properties of N-butyl-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-butyl-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 263.41 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91965462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).