1-[(2R)-4-[6-(2-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-2-phenylmethoxyethanone

C24H25FN4O3 — CID 93296736

IUPAC1-[(2R)-4-[6-(2-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-2-phenylmethoxyethanone
SMILESC[C@@H]1CN(c2cc(Oc3ccccc3F)ncn2)CCN1C(=O)COCc1ccccc1
InChIInChI=1S/C24H25FN4O3/c1-18-14-28(11-12-29(18)24(30)16-31-15-19-7-3-2-4-8-19)22-13-23(27-17-26-22)32-21-10-6-5-9-20(21)25/h2-10,13,17-18H,11-12,14-16H2,1H3/t18-/m1/s1
InChIKeyIQOGGNTYAZFDCV-GOSISDBHSA-N
MW436.49 g/mol
LogP3.66
Rot. Bonds7

About 1-[(2R)-4-[6-(2-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-2-phenylmethoxyethanone

1-[(2R)-4-[6-(2-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-2-phenylmethoxyethanone (PubChem CID 93296736) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is 1-[(2R)-4-[6-(2-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[(2R)-4-[6-(2-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-2-phenylmethoxyethanone
PubChem CID93296736
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Name1-[(2R)-4-[6-(2-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-2-phenylmethoxyethanone
SMILESC[C@@H]1CN(c2cc(Oc3ccccc3F)ncn2)CCN1C(=O)COCc1ccccc1
InChIInChI=1S/C24H25FN4O3/c1-18-14-28(11-12-29(18)24(30)16-31-15-19-7-3-2-4-8-19)22-13-23(27-17-26-22)32-21-10-6-5-9-20(21)25/h2-10,13,17-18H,11-12,14-16H2,1H3/t18-/m1/s1
InChIKeyIQOGGNTYAZFDCV-GOSISDBHSA-N
XLogP3.66
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-[6-(2-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[(2R)-4-[6-(2-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-2-phenylmethoxyethanone (CID 93296736) is 1-[(2R)-4-[6-(2-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[(2R)-4-[6-(2-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[(2R)-4-[6-(2-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-2-phenylmethoxyethanone is C[C@@H]1CN(c2cc(Oc3ccccc3F)ncn2)CCN1C(=O)COCc1ccccc1.
What is the InChIKey of 1-[(2R)-4-[6-(2-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-2-phenylmethoxyethanone?
The InChIKey is IQOGGNTYAZFDCV-GOSISDBHSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-18-14-28(11-12-29(18)24(30)16-31-15-19-7-3-2-4-8-19)22-13-23(27-17-26-22)32-21-10-6-5-9-20(21)25/h2-10,13,17-18H,11-12,14-16H2,1H3/t18-/m1/s1.
What are the key properties of 1-[(2R)-4-[6-(2-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-2-phenylmethoxyethanone?
1-[(2R)-4-[6-(2-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-2-phenylmethoxyethanone has a molecular weight of 436.49 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-[6-(2-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 93296736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).