4-(4-fluoro-2-methylphenoxy)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine

C21H27FN4O — CID 93298802

IUPAC4-(4-fluoro-2-methylphenoxy)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine
SMILESCc1cc(F)ccc1Oc1cc(N2CCC(N3CCCCC3)CC2)ncn1
InChIInChI=1S/C21H27FN4O/c1-16-13-17(22)5-6-19(16)27-21-14-20(23-15-24-21)26-11-7-18(8-12-26)25-9-3-2-4-10-25/h5-6,13-15,18H,2-4,7-12H2,1H3
InChIKeyPHOQQCYBGZABBH-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.17
Rot. Bonds4

About 4-(4-fluoro-2-methylphenoxy)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine

4-(4-fluoro-2-methylphenoxy)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine (PubChem CID 93298802) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenoxy)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(4-fluoro-2-methylphenoxy)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine
PubChem CID93298802
Molecular FormulaC21H27FN4O
Molecular Weight370.47 g/mol
Exact Mass370.22
IUPAC Name4-(4-fluoro-2-methylphenoxy)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine
SMILESCc1cc(F)ccc1Oc1cc(N2CCC(N3CCCCC3)CC2)ncn1
InChIInChI=1S/C21H27FN4O/c1-16-13-17(22)5-6-19(16)27-21-14-20(23-15-24-21)26-11-7-18(8-12-26)25-9-3-2-4-10-25/h5-6,13-15,18H,2-4,7-12H2,1H3
InChIKeyPHOQQCYBGZABBH-UHFFFAOYSA-N
XLogP4.17
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methylphenoxy)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine?
The IUPAC name of 4-(4-fluoro-2-methylphenoxy)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine (CID 93298802) is 4-(4-fluoro-2-methylphenoxy)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-(4-fluoro-2-methylphenoxy)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-(4-fluoro-2-methylphenoxy)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine is Cc1cc(F)ccc1Oc1cc(N2CCC(N3CCCCC3)CC2)ncn1.
What is the InChIKey of 4-(4-fluoro-2-methylphenoxy)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine?
The InChIKey is PHOQQCYBGZABBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O/c1-16-13-17(22)5-6-19(16)27-21-14-20(23-15-24-21)26-11-7-18(8-12-26)25-9-3-2-4-10-25/h5-6,13-15,18H,2-4,7-12H2,1H3.
What are the key properties of 4-(4-fluoro-2-methylphenoxy)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine?
4-(4-fluoro-2-methylphenoxy)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine has a molecular weight of 370.47 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methylphenoxy)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 93298802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).