N-tert-butyl-6-fluoropyrimidin-4-amine

C8H12FN3 — CID 115416300

IUPACN-tert-butyl-6-fluoropyrimidin-4-amine
SMILESCC(C)(C)Nc1cc(F)ncn1
InChIInChI=1S/C8H12FN3/c1-8(2,3)12-7-4-6(9)10-5-11-7/h4-5H,1-3H3,(H,10,11,12)
InChIKeyHVEXSGFPBJXCNB-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.83
Rot. Bonds1

About N-tert-butyl-6-fluoropyrimidin-4-amine

N-tert-butyl-6-fluoropyrimidin-4-amine (PubChem CID 115416300) has the molecular formula C8H12FN3 and a molecular weight of 169.20 g/mol. Its IUPAC name is N-tert-butyl-6-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-6-fluoropyrimidin-4-amine
PubChem CID115416300
Molecular FormulaC8H12FN3
Molecular Weight169.20 g/mol
Exact Mass169.10
IUPAC NameN-tert-butyl-6-fluoropyrimidin-4-amine
SMILESCC(C)(C)Nc1cc(F)ncn1
InChIInChI=1S/C8H12FN3/c1-8(2,3)12-7-4-6(9)10-5-11-7/h4-5H,1-3H3,(H,10,11,12)
InChIKeyHVEXSGFPBJXCNB-UHFFFAOYSA-N
XLogP1.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-fluoropyrimidin-4-amine?
The IUPAC name of N-tert-butyl-6-fluoropyrimidin-4-amine (CID 115416300) is N-tert-butyl-6-fluoropyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-6-fluoropyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-6-fluoropyrimidin-4-amine is CC(C)(C)Nc1cc(F)ncn1.
What is the InChIKey of N-tert-butyl-6-fluoropyrimidin-4-amine?
The InChIKey is HVEXSGFPBJXCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3/c1-8(2,3)12-7-4-6(9)10-5-11-7/h4-5H,1-3H3,(H,10,11,12).
What are the key properties of N-tert-butyl-6-fluoropyrimidin-4-amine?
N-tert-butyl-6-fluoropyrimidin-4-amine has a molecular weight of 169.20 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-fluoropyrimidin-4-amine is sourced from PubChem (CID 115416300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).