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

C13H19N3S — CID 50946929

IUPACN-butyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCCNc1nc(CC)nc2sc(C)cc12
InChIInChI=1S/C13H19N3S/c1-4-6-7-14-12-10-8-9(3)17-13(10)16-11(5-2)15-12/h8H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyMIKWYYASYLHTJN-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.77
Rot. Bonds5

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

N-butyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 50946929) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-butyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID50946929
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC NameN-butyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCCNc1nc(CC)nc2sc(C)cc12
InChIInChI=1S/C13H19N3S/c1-4-6-7-14-12-10-8-9(3)17-13(10)16-11(5-2)15-12/h8H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyMIKWYYASYLHTJN-UHFFFAOYSA-N
XLogP3.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.77
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-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-butyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 50946929) is N-butyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-butyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-butyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine is CCCCNc1nc(CC)nc2sc(C)cc12.
What is the InChIKey of N-butyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MIKWYYASYLHTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-4-6-7-14-12-10-8-9(3)17-13(10)16-11(5-2)15-12/h8H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of N-butyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
N-butyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 249.38 g/mol, XLogP of 3.77, 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-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 50946929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).