2-ethyl-6-methyl-N-pent-4-ynylthieno[2,3-d]pyrimidin-4-amine

C14H17N3S — CID 166120028

IUPAC2-ethyl-6-methyl-N-pent-4-ynylthieno[2,3-d]pyrimidin-4-amine
SMILESC#CCCCNc1nc(CC)nc2sc(C)cc12
InChIInChI=1S/C14H17N3S/c1-4-6-7-8-15-13-11-9-10(3)18-14(11)17-12(5-2)16-13/h1,9H,5-8H2,2-3H3,(H,15,16,17)
InChIKeyFBIFSENRZFGFJV-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.39
Rot. Bonds5

About 2-ethyl-6-methyl-N-pent-4-ynylthieno[2,3-d]pyrimidin-4-amine

2-ethyl-6-methyl-N-pent-4-ynylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 166120028) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 2-ethyl-6-methyl-N-pent-4-ynylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-methyl-N-pent-4-ynylthieno[2,3-d]pyrimidin-4-amine
PubChem CID166120028
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name2-ethyl-6-methyl-N-pent-4-ynylthieno[2,3-d]pyrimidin-4-amine
SMILESC#CCCCNc1nc(CC)nc2sc(C)cc12
InChIInChI=1S/C14H17N3S/c1-4-6-7-8-15-13-11-9-10(3)18-14(11)17-12(5-2)16-13/h1,9H,5-8H2,2-3H3,(H,15,16,17)
InChIKeyFBIFSENRZFGFJV-UHFFFAOYSA-N
XLogP3.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-N-pent-4-ynylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-methyl-N-pent-4-ynylthieno[2,3-d]pyrimidin-4-amine (CID 166120028) is 2-ethyl-6-methyl-N-pent-4-ynylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-methyl-N-pent-4-ynylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-methyl-N-pent-4-ynylthieno[2,3-d]pyrimidin-4-amine is C#CCCCNc1nc(CC)nc2sc(C)cc12.
What is the InChIKey of 2-ethyl-6-methyl-N-pent-4-ynylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FBIFSENRZFGFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-4-6-7-8-15-13-11-9-10(3)18-14(11)17-12(5-2)16-13/h1,9H,5-8H2,2-3H3,(H,15,16,17).
What are the key properties of 2-ethyl-6-methyl-N-pent-4-ynylthieno[2,3-d]pyrimidin-4-amine?
2-ethyl-6-methyl-N-pent-4-ynylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 259.38 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-N-pent-4-ynylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166120028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).