6-ethyl-5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-4-amine

C10H16FN3O2S — CID 113344324

IUPAC6-ethyl-5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-4-amine
SMILESCCc1ncnc(NCCCS(C)(=O)=O)c1F
InChIInChI=1S/C10H16FN3O2S/c1-3-8-9(11)10(14-7-13-8)12-5-4-6-17(2,15)16/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyQXNPHDNCTLNNPN-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.02
Rot. Bonds6

About 6-ethyl-5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-4-amine

6-ethyl-5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-4-amine (PubChem CID 113344324) has the molecular formula C10H16FN3O2S and a molecular weight of 261.32 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-4-amine
PubChem CID113344324
Molecular FormulaC10H16FN3O2S
Molecular Weight261.32 g/mol
Exact Mass261.09
IUPAC Name6-ethyl-5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-4-amine
SMILESCCc1ncnc(NCCCS(C)(=O)=O)c1F
InChIInChI=1S/C10H16FN3O2S/c1-3-8-9(11)10(14-7-13-8)12-5-4-6-17(2,15)16/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyQXNPHDNCTLNNPN-UHFFFAOYSA-N
XLogP1.02
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.02
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 6-ethyl-5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-4-amine (CID 113344324) is 6-ethyl-5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-4-amine is CCc1ncnc(NCCCS(C)(=O)=O)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-4-amine?
The InChIKey is QXNPHDNCTLNNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O2S/c1-3-8-9(11)10(14-7-13-8)12-5-4-6-17(2,15)16/h7H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of 6-ethyl-5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-4-amine?
6-ethyl-5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-4-amine has a molecular weight of 261.32 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 113344324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).