6-tert-butyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine

C15H18FN3 — CID 62192622

IUPAC6-tert-butyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine
SMILESCC(C)(C)c1cc(N)nc(Cc2cccc(F)c2)n1
InChIInChI=1S/C15H18FN3/c1-15(2,3)12-9-13(17)19-14(18-12)8-10-5-4-6-11(16)7-10/h4-7,9H,8H2,1-3H3,(H2,17,18,19)
InChIKeyWEZPXVOFBUZFRE-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.09
Rot. Bonds2

About 6-tert-butyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine

6-tert-butyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine (PubChem CID 62192622) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 6-tert-butyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine
PubChem CID62192622
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name6-tert-butyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine
SMILESCC(C)(C)c1cc(N)nc(Cc2cccc(F)c2)n1
InChIInChI=1S/C15H18FN3/c1-15(2,3)12-9-13(17)19-14(18-12)8-10-5-4-6-11(16)7-10/h4-7,9H,8H2,1-3H3,(H2,17,18,19)
InChIKeyWEZPXVOFBUZFRE-UHFFFAOYSA-N
XLogP3.09
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine (CID 62192622) is 6-tert-butyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine is CC(C)(C)c1cc(N)nc(Cc2cccc(F)c2)n1.
What is the InChIKey of 6-tert-butyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine?
The InChIKey is WEZPXVOFBUZFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-15(2,3)12-9-13(17)19-14(18-12)8-10-5-4-6-11(16)7-10/h4-7,9H,8H2,1-3H3,(H2,17,18,19).
What are the key properties of 6-tert-butyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine?
6-tert-butyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine has a molecular weight of 259.33 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 62192622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).