4-[5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine

C18H22FN5O — CID 886587

IUPAC4-[5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
SMILESFc1cnc(N2CCOCC2)nc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H22FN5O/c19-16-14-20-18(24-10-12-25-13-11-24)21-17(16)23-8-6-22(7-9-23)15-4-2-1-3-5-15/h1-5,14H,6-13H2
InChIKeyVODSPNHRNRKAGT-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.78
Rot. Bonds3

About 4-[5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine

4-[5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine (PubChem CID 886587) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-[5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
PubChem CID886587
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Name4-[5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
SMILESFc1cnc(N2CCOCC2)nc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H22FN5O/c19-16-14-20-18(24-10-12-25-13-11-24)21-17(16)23-8-6-22(7-9-23)15-4-2-1-3-5-15/h1-5,14H,6-13H2
InChIKeyVODSPNHRNRKAGT-UHFFFAOYSA-N
XLogP1.78
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine (CID 886587) is 4-[5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine is Fc1cnc(N2CCOCC2)nc1N1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-[5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The InChIKey is VODSPNHRNRKAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O/c19-16-14-20-18(24-10-12-25-13-11-24)21-17(16)23-8-6-22(7-9-23)15-4-2-1-3-5-15/h1-5,14H,6-13H2.
What are the key properties of 4-[5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
4-[5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine has a molecular weight of 343.41 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 886587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).