6-tert-butyl-2-fluoro-1,2-dihydropyrimidine

C8H13FN2 — CID 146392847

IUPAC6-tert-butyl-2-fluoro-1,2-dihydropyrimidine
SMILESCC(C)(C)C1=CC=NC(F)N1
InChIInChI=1S/C8H13FN2/c1-8(2,3)6-4-5-10-7(9)11-6/h4-5,7,11H,1-3H3
InChIKeyOUSWWRDFHDVXDZ-UHFFFAOYSA-N
MW156.20 g/mol
LogP1.84
Rot. Bonds

About 6-tert-butyl-2-fluoro-1,2-dihydropyrimidine

6-tert-butyl-2-fluoro-1,2-dihydropyrimidine (PubChem CID 146392847) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is 6-tert-butyl-2-fluoro-1,2-dihydropyrimidine.

Molecular Properties

Compound Name6-tert-butyl-2-fluoro-1,2-dihydropyrimidine
PubChem CID146392847
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name6-tert-butyl-2-fluoro-1,2-dihydropyrimidine
SMILESCC(C)(C)C1=CC=NC(F)N1
InChIInChI=1S/C8H13FN2/c1-8(2,3)6-4-5-10-7(9)11-6/h4-5,7,11H,1-3H3
InChIKeyOUSWWRDFHDVXDZ-UHFFFAOYSA-N
XLogP1.84
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-fluoro-1,2-dihydropyrimidine?
The IUPAC name of 6-tert-butyl-2-fluoro-1,2-dihydropyrimidine (CID 146392847) is 6-tert-butyl-2-fluoro-1,2-dihydropyrimidine.
What is the SMILES notation for 6-tert-butyl-2-fluoro-1,2-dihydropyrimidine?
The canonical SMILES for 6-tert-butyl-2-fluoro-1,2-dihydropyrimidine is CC(C)(C)C1=CC=NC(F)N1.
What is the InChIKey of 6-tert-butyl-2-fluoro-1,2-dihydropyrimidine?
The InChIKey is OUSWWRDFHDVXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2/c1-8(2,3)6-4-5-10-7(9)11-6/h4-5,7,11H,1-3H3.
What are the key properties of 6-tert-butyl-2-fluoro-1,2-dihydropyrimidine?
6-tert-butyl-2-fluoro-1,2-dihydropyrimidine has a molecular weight of 156.20 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-fluoro-1,2-dihydropyrimidine is sourced from PubChem (CID 146392847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).