4-(3-aminocyclobutyl)-6-[4-(3-fluorophenoxy)piperidin-1-yl]pyrimidin-2-amine

C19H24FN5O — CID 91791199

IUPAC4-(3-aminocyclobutyl)-6-[4-(3-fluorophenoxy)piperidin-1-yl]pyrimidin-2-amine
SMILESNc1nc(C2CC(N)C2)cc(N2CCC(Oc3cccc(F)c3)CC2)n1
InChIInChI=1S/C19H24FN5O/c20-13-2-1-3-16(10-13)26-15-4-6-25(7-5-15)18-11-17(23-19(22)24-18)12-8-14(21)9-12/h1-3,10-12,14-15H,4-9,21H2,(H2,22,23,24)
InChIKeyNZGDDALGCOEVLA-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.45
Rot. Bonds4

About 4-(3-aminocyclobutyl)-6-[4-(3-fluorophenoxy)piperidin-1-yl]pyrimidin-2-amine

4-(3-aminocyclobutyl)-6-[4-(3-fluorophenoxy)piperidin-1-yl]pyrimidin-2-amine (PubChem CID 91791199) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is 4-(3-aminocyclobutyl)-6-[4-(3-fluorophenoxy)piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-aminocyclobutyl)-6-[4-(3-fluorophenoxy)piperidin-1-yl]pyrimidin-2-amine
PubChem CID91791199
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC Name4-(3-aminocyclobutyl)-6-[4-(3-fluorophenoxy)piperidin-1-yl]pyrimidin-2-amine
SMILESNc1nc(C2CC(N)C2)cc(N2CCC(Oc3cccc(F)c3)CC2)n1
InChIInChI=1S/C19H24FN5O/c20-13-2-1-3-16(10-13)26-15-4-6-25(7-5-15)18-11-17(23-19(22)24-18)12-8-14(21)9-12/h1-3,10-12,14-15H,4-9,21H2,(H2,22,23,24)
InChIKeyNZGDDALGCOEVLA-UHFFFAOYSA-N
XLogP2.45
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminocyclobutyl)-6-[4-(3-fluorophenoxy)piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-(3-aminocyclobutyl)-6-[4-(3-fluorophenoxy)piperidin-1-yl]pyrimidin-2-amine (CID 91791199) is 4-(3-aminocyclobutyl)-6-[4-(3-fluorophenoxy)piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(3-aminocyclobutyl)-6-[4-(3-fluorophenoxy)piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(3-aminocyclobutyl)-6-[4-(3-fluorophenoxy)piperidin-1-yl]pyrimidin-2-amine is Nc1nc(C2CC(N)C2)cc(N2CCC(Oc3cccc(F)c3)CC2)n1.
What is the InChIKey of 4-(3-aminocyclobutyl)-6-[4-(3-fluorophenoxy)piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is NZGDDALGCOEVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O/c20-13-2-1-3-16(10-13)26-15-4-6-25(7-5-15)18-11-17(23-19(22)24-18)12-8-14(21)9-12/h1-3,10-12,14-15H,4-9,21H2,(H2,22,23,24).
What are the key properties of 4-(3-aminocyclobutyl)-6-[4-(3-fluorophenoxy)piperidin-1-yl]pyrimidin-2-amine?
4-(3-aminocyclobutyl)-6-[4-(3-fluorophenoxy)piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 357.43 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminocyclobutyl)-6-[4-(3-fluorophenoxy)piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 91791199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).