4-butylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine

C10H16FN3S — CID 80883892

IUPAC4-butylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine
SMILESCCCCSc1nc(NCC)ncc1F
InChIInChI=1S/C10H16FN3S/c1-3-5-6-15-9-8(11)7-13-10(14-9)12-4-2/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyBEYPMPBPXFIGEC-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.94
Rot. Bonds6

About 4-butylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine

4-butylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine (PubChem CID 80883892) has the molecular formula C10H16FN3S and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-butylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-butylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine
PubChem CID80883892
Molecular FormulaC10H16FN3S
Molecular Weight229.32 g/mol
Exact Mass229.10
IUPAC Name4-butylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine
SMILESCCCCSc1nc(NCC)ncc1F
InChIInChI=1S/C10H16FN3S/c1-3-5-6-15-9-8(11)7-13-10(14-9)12-4-2/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyBEYPMPBPXFIGEC-UHFFFAOYSA-N
XLogP2.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-butylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-butylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-butylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine (CID 80883892) is 4-butylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-butylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-butylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine is CCCCSc1nc(NCC)ncc1F.
What is the InChIKey of 4-butylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine?
The InChIKey is BEYPMPBPXFIGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3S/c1-3-5-6-15-9-8(11)7-13-10(14-9)12-4-2/h7H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of 4-butylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine?
4-butylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine has a molecular weight of 229.32 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80883892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).