5-fluoro-4-[4-(oxan-2-ylmethyl)piperazin-1-yl]-6-phenylpyrimidine

C20H25FN4O — CID 165435249

IUPAC5-fluoro-4-[4-(oxan-2-ylmethyl)piperazin-1-yl]-6-phenylpyrimidine
SMILESFc1c(-c2ccccc2)ncnc1N1CCN(CC2CCCCO2)CC1
InChIInChI=1S/C20H25FN4O/c21-18-19(16-6-2-1-3-7-16)22-15-23-20(18)25-11-9-24(10-12-25)14-17-8-4-5-13-26-17/h1-3,6-7,15,17H,4-5,8-14H2
InChIKeyYXQTXHLSFLDJSW-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.97
Rot. Bonds4

About 5-fluoro-4-[4-(oxan-2-ylmethyl)piperazin-1-yl]-6-phenylpyrimidine

5-fluoro-4-[4-(oxan-2-ylmethyl)piperazin-1-yl]-6-phenylpyrimidine (PubChem CID 165435249) has the molecular formula C20H25FN4O and a molecular weight of 356.44 g/mol. Its IUPAC name is 5-fluoro-4-[4-(oxan-2-ylmethyl)piperazin-1-yl]-6-phenylpyrimidine.

Molecular Properties

Compound Name5-fluoro-4-[4-(oxan-2-ylmethyl)piperazin-1-yl]-6-phenylpyrimidine
PubChem CID165435249
Molecular FormulaC20H25FN4O
Molecular Weight356.44 g/mol
Exact Mass356.20
IUPAC Name5-fluoro-4-[4-(oxan-2-ylmethyl)piperazin-1-yl]-6-phenylpyrimidine
SMILESFc1c(-c2ccccc2)ncnc1N1CCN(CC2CCCCO2)CC1
InChIInChI=1S/C20H25FN4O/c21-18-19(16-6-2-1-3-7-16)22-15-23-20(18)25-11-9-24(10-12-25)14-17-8-4-5-13-26-17/h1-3,6-7,15,17H,4-5,8-14H2
InChIKeyYXQTXHLSFLDJSW-UHFFFAOYSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 31271704
6-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyridin-3-amine
CID 43591958
4-methyl-2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyrimidine
CID 171327906
4-chloro-6-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]pyrimidine
CID 93480988
[2-(5-fluoro-6-phenylpyrimidin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol
CID 155974594
[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 9209032
(2,6-difluorophenyl)-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-yl]methanone
CID 95258451
6-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-9-(oxolan-2-ylmethyl)purine
CID 163345104
1-(oxolan-2-ylmethyl)-2,4,5-triphenylimidazole
CID 102110360
(1S)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-1-phenylethanol
CID 94767855
2-[[4-(oxan-2-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 134011249
3-methyl-6-[4-(oxan-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 56778614

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[4-(oxan-2-ylmethyl)piperazin-1-yl]-6-phenylpyrimidine?
The IUPAC name of 5-fluoro-4-[4-(oxan-2-ylmethyl)piperazin-1-yl]-6-phenylpyrimidine (CID 165435249) is 5-fluoro-4-[4-(oxan-2-ylmethyl)piperazin-1-yl]-6-phenylpyrimidine.
What is the SMILES notation for 5-fluoro-4-[4-(oxan-2-ylmethyl)piperazin-1-yl]-6-phenylpyrimidine?
The canonical SMILES for 5-fluoro-4-[4-(oxan-2-ylmethyl)piperazin-1-yl]-6-phenylpyrimidine is Fc1c(-c2ccccc2)ncnc1N1CCN(CC2CCCCO2)CC1.
What is the InChIKey of 5-fluoro-4-[4-(oxan-2-ylmethyl)piperazin-1-yl]-6-phenylpyrimidine?
The InChIKey is YXQTXHLSFLDJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c21-18-19(16-6-2-1-3-7-16)22-15-23-20(18)25-11-9-24(10-12-25)14-17-8-4-5-13-26-17/h1-3,6-7,15,17H,4-5,8-14H2.
What are the key properties of 5-fluoro-4-[4-(oxan-2-ylmethyl)piperazin-1-yl]-6-phenylpyrimidine?
5-fluoro-4-[4-(oxan-2-ylmethyl)piperazin-1-yl]-6-phenylpyrimidine has a molecular weight of 356.44 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[4-(oxan-2-ylmethyl)piperazin-1-yl]-6-phenylpyrimidine is sourced from PubChem (CID 165435249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).