1-(2-amino-6-methylpyrimidin-4-yl)-4-(4-fluorophenyl)piperidin-4-ol

C16H19FN4O — CID 11472155

IUPAC1-(2-amino-6-methylpyrimidin-4-yl)-4-(4-fluorophenyl)piperidin-4-ol
SMILESCc1cc(N2CCC(O)(c3ccc(F)cc3)CC2)nc(N)n1
InChIInChI=1S/C16H19FN4O/c1-11-10-14(20-15(18)19-11)21-8-6-16(22,7-9-21)12-2-4-13(17)5-3-12/h2-5,10,22H,6-9H2,1H3,(H2,18,19,20)
InChIKeyHJMSRJXILBNNPS-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.99
Rot. Bonds2

About 1-(2-amino-6-methylpyrimidin-4-yl)-4-(4-fluorophenyl)piperidin-4-ol

1-(2-amino-6-methylpyrimidin-4-yl)-4-(4-fluorophenyl)piperidin-4-ol (PubChem CID 11472155) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-(2-amino-6-methylpyrimidin-4-yl)-4-(4-fluorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(2-amino-6-methylpyrimidin-4-yl)-4-(4-fluorophenyl)piperidin-4-ol
PubChem CID11472155
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name1-(2-amino-6-methylpyrimidin-4-yl)-4-(4-fluorophenyl)piperidin-4-ol
SMILESCc1cc(N2CCC(O)(c3ccc(F)cc3)CC2)nc(N)n1
InChIInChI=1S/C16H19FN4O/c1-11-10-14(20-15(18)19-11)21-8-6-16(22,7-9-21)12-2-4-13(17)5-3-12/h2-5,10,22H,6-9H2,1H3,(H2,18,19,20)
InChIKeyHJMSRJXILBNNPS-UHFFFAOYSA-N
XLogP1.99
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-methylpyrimidin-4-yl)-4-(4-fluorophenyl)piperidin-4-ol?
The IUPAC name of 1-(2-amino-6-methylpyrimidin-4-yl)-4-(4-fluorophenyl)piperidin-4-ol (CID 11472155) is 1-(2-amino-6-methylpyrimidin-4-yl)-4-(4-fluorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-(2-amino-6-methylpyrimidin-4-yl)-4-(4-fluorophenyl)piperidin-4-ol?
The canonical SMILES for 1-(2-amino-6-methylpyrimidin-4-yl)-4-(4-fluorophenyl)piperidin-4-ol is Cc1cc(N2CCC(O)(c3ccc(F)cc3)CC2)nc(N)n1.
What is the InChIKey of 1-(2-amino-6-methylpyrimidin-4-yl)-4-(4-fluorophenyl)piperidin-4-ol?
The InChIKey is HJMSRJXILBNNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-11-10-14(20-15(18)19-11)21-8-6-16(22,7-9-21)12-2-4-13(17)5-3-12/h2-5,10,22H,6-9H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2-amino-6-methylpyrimidin-4-yl)-4-(4-fluorophenyl)piperidin-4-ol?
1-(2-amino-6-methylpyrimidin-4-yl)-4-(4-fluorophenyl)piperidin-4-ol has a molecular weight of 302.35 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-methylpyrimidin-4-yl)-4-(4-fluorophenyl)piperidin-4-ol is sourced from PubChem (CID 11472155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).