3-[2-amino-6-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol

C20H25FN4O — CID 91766252

IUPAC3-[2-amino-6-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
SMILESNc1nc(C2CC(O)C2)cc(N2CCC(Cc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C20H25FN4O/c21-16-3-1-13(2-4-16)9-14-5-7-25(8-6-14)19-12-18(23-20(22)24-19)15-10-17(26)11-15/h1-4,12,14-15,17,26H,5-11H2,(H2,22,23,24)
InChIKeyYYUGPRBZRMJVPI-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.90
Rot. Bonds4

About 3-[2-amino-6-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol

3-[2-amino-6-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91766252) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is 3-[2-amino-6-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-amino-6-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91766252
Molecular FormulaC20H25FN4O
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC Name3-[2-amino-6-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
SMILESNc1nc(C2CC(O)C2)cc(N2CCC(Cc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C20H25FN4O/c21-16-3-1-13(2-4-16)9-14-5-7-25(8-6-14)19-12-18(23-20(22)24-19)15-10-17(26)11-15/h1-4,12,14-15,17,26H,5-11H2,(H2,22,23,24)
InChIKeyYYUGPRBZRMJVPI-UHFFFAOYSA-N
XLogP2.90
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-amino-6-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol (CID 91766252) is 3-[2-amino-6-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-amino-6-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-amino-6-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol is Nc1nc(C2CC(O)C2)cc(N2CCC(Cc3ccc(F)cc3)CC2)n1.
What is the InChIKey of 3-[2-amino-6-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is YYUGPRBZRMJVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c21-16-3-1-13(2-4-16)9-14-5-7-25(8-6-14)19-12-18(23-20(22)24-19)15-10-17(26)11-15/h1-4,12,14-15,17,26H,5-11H2,(H2,22,23,24).
What are the key properties of 3-[2-amino-6-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-amino-6-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 356.45 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-6-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91766252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).