N-butyl-6-ethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine

C16H25N5S — CID 70536745

IUPACN-butyl-6-ethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCCNc1nc(N2CCNCC2)nc2sc(CC)cc12
InChIInChI=1S/C16H25N5S/c1-3-5-6-18-14-13-11-12(4-2)22-15(13)20-16(19-14)21-9-7-17-8-10-21/h11,17H,3-10H2,1-2H3,(H,18,19,20)
InChIKeyHNVCJYIKYIHCOZ-UHFFFAOYSA-N
MW319.48 g/mol
LogP2.88
Rot. Bonds6

About N-butyl-6-ethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine

N-butyl-6-ethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 70536745) has the molecular formula C16H25N5S and a molecular weight of 319.48 g/mol. Its IUPAC name is N-butyl-6-ethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-6-ethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID70536745
Molecular FormulaC16H25N5S
Molecular Weight319.48 g/mol
Exact Mass319.18
IUPAC NameN-butyl-6-ethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCCNc1nc(N2CCNCC2)nc2sc(CC)cc12
InChIInChI=1S/C16H25N5S/c1-3-5-6-18-14-13-11-12(4-2)22-15(13)20-16(19-14)21-9-7-17-8-10-21/h11,17H,3-10H2,1-2H3,(H,18,19,20)
InChIKeyHNVCJYIKYIHCOZ-UHFFFAOYSA-N
XLogP2.88
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.48
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-6-ethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-butyl-6-ethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine (CID 70536745) is N-butyl-6-ethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-butyl-6-ethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-butyl-6-ethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine is CCCCNc1nc(N2CCNCC2)nc2sc(CC)cc12.
What is the InChIKey of N-butyl-6-ethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HNVCJYIKYIHCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5S/c1-3-5-6-18-14-13-11-12(4-2)22-15(13)20-16(19-14)21-9-7-17-8-10-21/h11,17H,3-10H2,1-2H3,(H,18,19,20).
What are the key properties of N-butyl-6-ethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine?
N-butyl-6-ethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 319.48 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-ethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 70536745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).