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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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).