6-tert-butyl-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-4-amine

C17H22FN3 — CID 64770726

IUPAC6-tert-butyl-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-4-amine
SMILESCC(C)(C)c1cc(N)nc(C(C)(C)c2ccc(F)cc2)n1
InChIInChI=1S/C17H22FN3/c1-16(2,3)13-10-14(19)21-15(20-13)17(4,5)11-6-8-12(18)9-7-11/h6-10H,1-5H3,(H2,19,20,21)
InChIKeyFKOXIJOKXOCYDB-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.82
Rot. Bonds2

About 6-tert-butyl-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-4-amine

6-tert-butyl-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-4-amine (PubChem CID 64770726) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 6-tert-butyl-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-4-amine
PubChem CID64770726
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name6-tert-butyl-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-4-amine
SMILESCC(C)(C)c1cc(N)nc(C(C)(C)c2ccc(F)cc2)n1
InChIInChI=1S/C17H22FN3/c1-16(2,3)13-10-14(19)21-15(20-13)17(4,5)11-6-8-12(18)9-7-11/h6-10H,1-5H3,(H2,19,20,21)
InChIKeyFKOXIJOKXOCYDB-UHFFFAOYSA-N
XLogP3.82
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.82
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-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-4-amine (CID 64770726) is 6-tert-butyl-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-4-amine is CC(C)(C)c1cc(N)nc(C(C)(C)c2ccc(F)cc2)n1.
What is the InChIKey of 6-tert-butyl-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-4-amine?
The InChIKey is FKOXIJOKXOCYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-16(2,3)13-10-14(19)21-15(20-13)17(4,5)11-6-8-12(18)9-7-11/h6-10H,1-5H3,(H2,19,20,21).
What are the key properties of 6-tert-butyl-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-4-amine?
6-tert-butyl-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-4-amine has a molecular weight of 287.38 g/mol, XLogP of 3.82, 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-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 64770726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).