[1-(6-amino-5-ethenylpyrimidin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanol

C18H21FN4O — CID 89446830

IUPAC[1-(6-amino-5-ethenylpyrimidin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanol
SMILESC=Cc1c(N)ncnc1N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H21FN4O/c1-2-15-17(20)21-11-22-18(15)23-9-7-13(8-10-23)16(24)12-3-5-14(19)6-4-12/h2-6,11,13,16,24H,1,7-10H2,(H2,20,21,22)
InChIKeyYAILFBJHSPJSDI-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.79
Rot. Bonds4

About [1-(6-amino-5-ethenylpyrimidin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanol

[1-(6-amino-5-ethenylpyrimidin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanol (PubChem CID 89446830) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is [1-(6-amino-5-ethenylpyrimidin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name[1-(6-amino-5-ethenylpyrimidin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanol
PubChem CID89446830
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name[1-(6-amino-5-ethenylpyrimidin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanol
SMILESC=Cc1c(N)ncnc1N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H21FN4O/c1-2-15-17(20)21-11-22-18(15)23-9-7-13(8-10-23)16(24)12-3-5-14(19)6-4-12/h2-6,11,13,16,24H,1,7-10H2,(H2,20,21,22)
InChIKeyYAILFBJHSPJSDI-UHFFFAOYSA-N
XLogP2.79
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(6-amino-5-ethenylpyrimidin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanol?
The IUPAC name of [1-(6-amino-5-ethenylpyrimidin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanol (CID 89446830) is [1-(6-amino-5-ethenylpyrimidin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanol.
What is the SMILES notation for [1-(6-amino-5-ethenylpyrimidin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanol?
The canonical SMILES for [1-(6-amino-5-ethenylpyrimidin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanol is C=Cc1c(N)ncnc1N1CCC(C(O)c2ccc(F)cc2)CC1.
What is the InChIKey of [1-(6-amino-5-ethenylpyrimidin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanol?
The InChIKey is YAILFBJHSPJSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-2-15-17(20)21-11-22-18(15)23-9-7-13(8-10-23)16(24)12-3-5-14(19)6-4-12/h2-6,11,13,16,24H,1,7-10H2,(H2,20,21,22).
What are the key properties of [1-(6-amino-5-ethenylpyrimidin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanol?
[1-(6-amino-5-ethenylpyrimidin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanol has a molecular weight of 328.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-amino-5-ethenylpyrimidin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanol is sourced from PubChem (CID 89446830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).