6-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidin-4-amine

C17H21FN4O — CID 72923670

IUPAC6-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(N2CCCC(COc3cccc(F)c3)C2)n1
InChIInChI=1S/C17H21FN4O/c1-12-20-16(19)9-17(21-12)22-7-3-4-13(10-22)11-23-15-6-2-5-14(18)8-15/h2,5-6,8-9,13H,3-4,7,10-11H2,1H3,(H2,19,20,21)
InChIKeyYFZANTBWMHEVQH-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.80
Rot. Bonds4

About 6-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidin-4-amine

6-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidin-4-amine (PubChem CID 72923670) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 6-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidin-4-amine
PubChem CID72923670
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name6-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(N2CCCC(COc3cccc(F)c3)C2)n1
InChIInChI=1S/C17H21FN4O/c1-12-20-16(19)9-17(21-12)22-7-3-4-13(10-22)11-23-15-6-2-5-14(18)8-15/h2,5-6,8-9,13H,3-4,7,10-11H2,1H3,(H2,19,20,21)
InChIKeyYFZANTBWMHEVQH-UHFFFAOYSA-N
XLogP2.80
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidin-4-amine (CID 72923670) is 6-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidin-4-amine is Cc1nc(N)cc(N2CCCC(COc3cccc(F)c3)C2)n1.
What is the InChIKey of 6-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidin-4-amine?
The InChIKey is YFZANTBWMHEVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-12-20-16(19)9-17(21-12)22-7-3-4-13(10-22)11-23-15-6-2-5-14(18)8-15/h2,5-6,8-9,13H,3-4,7,10-11H2,1H3,(H2,19,20,21).
What are the key properties of 6-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidin-4-amine?
6-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidin-4-amine has a molecular weight of 316.38 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 72923670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).