[2-[2-(4-fluorophenyl)propan-2-yl]-6-methylpyrimidin-4-yl]methanamine

C15H18FN3 — CID 64769167

IUPAC[2-[2-(4-fluorophenyl)propan-2-yl]-6-methylpyrimidin-4-yl]methanamine
SMILESCc1cc(CN)nc(C(C)(C)c2ccc(F)cc2)n1
InChIInChI=1S/C15H18FN3/c1-10-8-13(9-17)19-14(18-10)15(2,3)11-4-6-12(16)7-5-11/h4-8H,9,17H2,1-3H3
InChIKeyOHCOIDAQSYFPRW-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.71
Rot. Bonds3

About [2-[2-(4-fluorophenyl)propan-2-yl]-6-methylpyrimidin-4-yl]methanamine

[2-[2-(4-fluorophenyl)propan-2-yl]-6-methylpyrimidin-4-yl]methanamine (PubChem CID 64769167) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is [2-[2-(4-fluorophenyl)propan-2-yl]-6-methylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-[2-(4-fluorophenyl)propan-2-yl]-6-methylpyrimidin-4-yl]methanamine
PubChem CID64769167
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name[2-[2-(4-fluorophenyl)propan-2-yl]-6-methylpyrimidin-4-yl]methanamine
SMILESCc1cc(CN)nc(C(C)(C)c2ccc(F)cc2)n1
InChIInChI=1S/C15H18FN3/c1-10-8-13(9-17)19-14(18-10)15(2,3)11-4-6-12(16)7-5-11/h4-8H,9,17H2,1-3H3
InChIKeyOHCOIDAQSYFPRW-UHFFFAOYSA-N
XLogP2.71
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-fluorophenyl)propan-2-yl]-6-methylpyrimidin-4-yl]methanamine?
The IUPAC name of [2-[2-(4-fluorophenyl)propan-2-yl]-6-methylpyrimidin-4-yl]methanamine (CID 64769167) is [2-[2-(4-fluorophenyl)propan-2-yl]-6-methylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-[2-(4-fluorophenyl)propan-2-yl]-6-methylpyrimidin-4-yl]methanamine?
The canonical SMILES for [2-[2-(4-fluorophenyl)propan-2-yl]-6-methylpyrimidin-4-yl]methanamine is Cc1cc(CN)nc(C(C)(C)c2ccc(F)cc2)n1.
What is the InChIKey of [2-[2-(4-fluorophenyl)propan-2-yl]-6-methylpyrimidin-4-yl]methanamine?
The InChIKey is OHCOIDAQSYFPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-10-8-13(9-17)19-14(18-10)15(2,3)11-4-6-12(16)7-5-11/h4-8H,9,17H2,1-3H3.
What are the key properties of [2-[2-(4-fluorophenyl)propan-2-yl]-6-methylpyrimidin-4-yl]methanamine?
[2-[2-(4-fluorophenyl)propan-2-yl]-6-methylpyrimidin-4-yl]methanamine has a molecular weight of 259.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-fluorophenyl)propan-2-yl]-6-methylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 64769167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).