2-[2-[2-(4-fluorophenyl)propan-2-yl]-4,6-dimethylpyrimidin-5-yl]ethanamine

C17H22FN3 — CID 64767992

IUPAC2-[2-[2-(4-fluorophenyl)propan-2-yl]-4,6-dimethylpyrimidin-5-yl]ethanamine
SMILESCc1nc(C(C)(C)c2ccc(F)cc2)nc(C)c1CCN
InChIInChI=1S/C17H22FN3/c1-11-15(9-10-19)12(2)21-16(20-11)17(3,4)13-5-7-14(18)8-6-13/h5-8H,9-10,19H2,1-4H3
InChIKeyCVVMLEPQDHSWER-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.06
Rot. Bonds4

About 2-[2-[2-(4-fluorophenyl)propan-2-yl]-4,6-dimethylpyrimidin-5-yl]ethanamine

2-[2-[2-(4-fluorophenyl)propan-2-yl]-4,6-dimethylpyrimidin-5-yl]ethanamine (PubChem CID 64767992) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-[2-[2-(4-fluorophenyl)propan-2-yl]-4,6-dimethylpyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[2-(4-fluorophenyl)propan-2-yl]-4,6-dimethylpyrimidin-5-yl]ethanamine
PubChem CID64767992
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name2-[2-[2-(4-fluorophenyl)propan-2-yl]-4,6-dimethylpyrimidin-5-yl]ethanamine
SMILESCc1nc(C(C)(C)c2ccc(F)cc2)nc(C)c1CCN
InChIInChI=1S/C17H22FN3/c1-11-15(9-10-19)12(2)21-16(20-11)17(3,4)13-5-7-14(18)8-6-13/h5-8H,9-10,19H2,1-4H3
InChIKeyCVVMLEPQDHSWER-UHFFFAOYSA-N
XLogP3.06
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-fluorophenyl)propan-2-yl]-4,6-dimethylpyrimidin-5-yl]ethanamine?
The IUPAC name of 2-[2-[2-(4-fluorophenyl)propan-2-yl]-4,6-dimethylpyrimidin-5-yl]ethanamine (CID 64767992) is 2-[2-[2-(4-fluorophenyl)propan-2-yl]-4,6-dimethylpyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-[2-[2-(4-fluorophenyl)propan-2-yl]-4,6-dimethylpyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-[2-[2-(4-fluorophenyl)propan-2-yl]-4,6-dimethylpyrimidin-5-yl]ethanamine is Cc1nc(C(C)(C)c2ccc(F)cc2)nc(C)c1CCN.
What is the InChIKey of 2-[2-[2-(4-fluorophenyl)propan-2-yl]-4,6-dimethylpyrimidin-5-yl]ethanamine?
The InChIKey is CVVMLEPQDHSWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-11-15(9-10-19)12(2)21-16(20-11)17(3,4)13-5-7-14(18)8-6-13/h5-8H,9-10,19H2,1-4H3.
What are the key properties of 2-[2-[2-(4-fluorophenyl)propan-2-yl]-4,6-dimethylpyrimidin-5-yl]ethanamine?
2-[2-[2-(4-fluorophenyl)propan-2-yl]-4,6-dimethylpyrimidin-5-yl]ethanamine has a molecular weight of 287.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-fluorophenyl)propan-2-yl]-4,6-dimethylpyrimidin-5-yl]ethanamine is sourced from PubChem (CID 64767992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).