4-tert-butyl-5-fluoropyrimidin-2-amine

C8H12FN3 — CID 58008866

IUPAC4-tert-butyl-5-fluoropyrimidin-2-amine
SMILESCC(C)(C)c1nc(N)ncc1F
InChIInChI=1S/C8H12FN3/c1-8(2,3)6-5(9)4-11-7(10)12-6/h4H,1-3H3,(H2,10,11,12)
InChIKeyDQLOEPMSMBLUKS-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.50
Rot. Bonds

About 4-tert-butyl-5-fluoropyrimidin-2-amine

4-tert-butyl-5-fluoropyrimidin-2-amine (PubChem CID 58008866) has the molecular formula C8H12FN3 and a molecular weight of 169.20 g/mol. Its IUPAC name is 4-tert-butyl-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-5-fluoropyrimidin-2-amine
PubChem CID58008866
Molecular FormulaC8H12FN3
Molecular Weight169.20 g/mol
Exact Mass169.10
IUPAC Name4-tert-butyl-5-fluoropyrimidin-2-amine
SMILESCC(C)(C)c1nc(N)ncc1F
InChIInChI=1S/C8H12FN3/c1-8(2,3)6-5(9)4-11-7(10)12-6/h4H,1-3H3,(H2,10,11,12)
InChIKeyDQLOEPMSMBLUKS-UHFFFAOYSA-N
XLogP1.50
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-tert-butyl-5-fluoropyrimidin-2-amine (CID 58008866) is 4-tert-butyl-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-tert-butyl-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-tert-butyl-5-fluoropyrimidin-2-amine is CC(C)(C)c1nc(N)ncc1F.
What is the InChIKey of 4-tert-butyl-5-fluoropyrimidin-2-amine?
The InChIKey is DQLOEPMSMBLUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3/c1-8(2,3)6-5(9)4-11-7(10)12-6/h4H,1-3H3,(H2,10,11,12).
What are the key properties of 4-tert-butyl-5-fluoropyrimidin-2-amine?
4-tert-butyl-5-fluoropyrimidin-2-amine has a molecular weight of 169.20 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 58008866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).