5-fluoro-4-[(1R)-1-(3-fluorophenyl)ethoxy]-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine

C17H20F2N4O — CID 153406714

IUPAC5-fluoro-4-[(1R)-1-(3-fluorophenyl)ethoxy]-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine
SMILESC[C@@H]1CNCCN1c1ncc(F)c(O[C@H](C)c2cccc(F)c2)n1
InChIInChI=1S/C17H20F2N4O/c1-11-9-20-6-7-23(11)17-21-10-15(19)16(22-17)24-12(2)13-4-3-5-14(18)8-13/h3-5,8,10-12,20H,6-7,9H2,1-2H3/t11-,12-/m1/s1
InChIKeyULDLFBVQLROOIG-VXGBXAGGSA-N
MW334.37 g/mol
LogP2.69
Rot. Bonds4

About 5-fluoro-4-[(1R)-1-(3-fluorophenyl)ethoxy]-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine

5-fluoro-4-[(1R)-1-(3-fluorophenyl)ethoxy]-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine (PubChem CID 153406714) has the molecular formula C17H20F2N4O and a molecular weight of 334.37 g/mol. Its IUPAC name is 5-fluoro-4-[(1R)-1-(3-fluorophenyl)ethoxy]-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-fluoro-4-[(1R)-1-(3-fluorophenyl)ethoxy]-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine
PubChem CID153406714
Molecular FormulaC17H20F2N4O
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC Name5-fluoro-4-[(1R)-1-(3-fluorophenyl)ethoxy]-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine
SMILESC[C@@H]1CNCCN1c1ncc(F)c(O[C@H](C)c2cccc(F)c2)n1
InChIInChI=1S/C17H20F2N4O/c1-11-9-20-6-7-23(11)17-21-10-15(19)16(22-17)24-12(2)13-4-3-5-14(18)8-13/h3-5,8,10-12,20H,6-7,9H2,1-2H3/t11-,12-/m1/s1
InChIKeyULDLFBVQLROOIG-VXGBXAGGSA-N
XLogP2.69
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[(1R)-1-(3-fluorophenyl)ethoxy]-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine?
The IUPAC name of 5-fluoro-4-[(1R)-1-(3-fluorophenyl)ethoxy]-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine (CID 153406714) is 5-fluoro-4-[(1R)-1-(3-fluorophenyl)ethoxy]-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-fluoro-4-[(1R)-1-(3-fluorophenyl)ethoxy]-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 5-fluoro-4-[(1R)-1-(3-fluorophenyl)ethoxy]-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine is C[C@@H]1CNCCN1c1ncc(F)c(O[C@H](C)c2cccc(F)c2)n1.
What is the InChIKey of 5-fluoro-4-[(1R)-1-(3-fluorophenyl)ethoxy]-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine?
The InChIKey is ULDLFBVQLROOIG-VXGBXAGGSA-N. The full InChI is InChI=1S/C17H20F2N4O/c1-11-9-20-6-7-23(11)17-21-10-15(19)16(22-17)24-12(2)13-4-3-5-14(18)8-13/h3-5,8,10-12,20H,6-7,9H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of 5-fluoro-4-[(1R)-1-(3-fluorophenyl)ethoxy]-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine?
5-fluoro-4-[(1R)-1-(3-fluorophenyl)ethoxy]-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine has a molecular weight of 334.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[(1R)-1-(3-fluorophenyl)ethoxy]-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 153406714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).