6-tert-butyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine

C15H18FN3 — CID 62192974

IUPAC6-tert-butyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)cc(C(C)(C)C)n2)cc1F
InChIInChI=1S/C15H18FN3/c1-9-5-6-10(7-11(9)16)14-18-12(15(2,3)4)8-13(17)19-14/h5-8H,1-4H3,(H2,17,18,19)
InChIKeyKICSJZWJHCWCPS-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.47
Rot. Bonds1

About 6-tert-butyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine

6-tert-butyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine (PubChem CID 62192974) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 6-tert-butyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
PubChem CID62192974
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name6-tert-butyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)cc(C(C)(C)C)n2)cc1F
InChIInChI=1S/C15H18FN3/c1-9-5-6-10(7-11(9)16)14-18-12(15(2,3)4)8-13(17)19-14/h5-8H,1-4H3,(H2,17,18,19)
InChIKeyKICSJZWJHCWCPS-UHFFFAOYSA-N
XLogP3.47
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.47
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-fluoro-4-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine (CID 62192974) is 6-tert-butyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine is Cc1ccc(-c2nc(N)cc(C(C)(C)C)n2)cc1F.
What is the InChIKey of 6-tert-butyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine?
The InChIKey is KICSJZWJHCWCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-9-5-6-10(7-11(9)16)14-18-12(15(2,3)4)8-13(17)19-14/h5-8H,1-4H3,(H2,17,18,19).
What are the key properties of 6-tert-butyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine?
6-tert-butyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine has a molecular weight of 259.33 g/mol, XLogP of 3.47, 1 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-fluoro-4-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 62192974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).