N-butyl-2-butylsulfanylthieno[2,3-d]pyrimidin-4-amine

C14H21N3S2 — CID 163196468

IUPACN-butyl-2-butylsulfanylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCCNc1nc(SCCCC)nc2sccc12
InChIInChI=1S/C14H21N3S2/c1-3-5-8-15-12-11-7-10-18-13(11)17-14(16-12)19-9-6-4-2/h7,10H,3-6,8-9H2,1-2H3,(H,15,16,17)
InChIKeyFLGIFOSSAINPOK-UHFFFAOYSA-N
MW295.48 g/mol
LogP4.80
Rot. Bonds8

About N-butyl-2-butylsulfanylthieno[2,3-d]pyrimidin-4-amine

N-butyl-2-butylsulfanylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 163196468) has the molecular formula C14H21N3S2 and a molecular weight of 295.48 g/mol. Its IUPAC name is N-butyl-2-butylsulfanylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-2-butylsulfanylthieno[2,3-d]pyrimidin-4-amine
PubChem CID163196468
Molecular FormulaC14H21N3S2
Molecular Weight295.48 g/mol
Exact Mass295.12
IUPAC NameN-butyl-2-butylsulfanylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCCNc1nc(SCCCC)nc2sccc12
InChIInChI=1S/C14H21N3S2/c1-3-5-8-15-12-11-7-10-18-13(11)17-14(16-12)19-9-6-4-2/h7,10H,3-6,8-9H2,1-2H3,(H,15,16,17)
InChIKeyFLGIFOSSAINPOK-UHFFFAOYSA-N
XLogP4.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.48
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-butylsulfanylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-butyl-2-butylsulfanylthieno[2,3-d]pyrimidin-4-amine (CID 163196468) is N-butyl-2-butylsulfanylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-butyl-2-butylsulfanylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-butyl-2-butylsulfanylthieno[2,3-d]pyrimidin-4-amine is CCCCNc1nc(SCCCC)nc2sccc12.
What is the InChIKey of N-butyl-2-butylsulfanylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FLGIFOSSAINPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S2/c1-3-5-8-15-12-11-7-10-18-13(11)17-14(16-12)19-9-6-4-2/h7,10H,3-6,8-9H2,1-2H3,(H,15,16,17).
What are the key properties of N-butyl-2-butylsulfanylthieno[2,3-d]pyrimidin-4-amine?
N-butyl-2-butylsulfanylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 295.48 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-butylsulfanylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 163196468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).