1-(2,6-dichloro-5-fluoropyrimidin-4-yl)-4-methylpiperidin-4-ol

C10H12Cl2FN3O — CID 87758136

IUPAC1-(2,6-dichloro-5-fluoropyrimidin-4-yl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2nc(Cl)nc(Cl)c2F)CC1
InChIInChI=1S/C10H12Cl2FN3O/c1-10(17)2-4-16(5-3-10)8-6(13)7(11)14-9(12)15-8/h17H,2-5H2,1H3
InChIKeyWNTAPTJMWUPTPS-UHFFFAOYSA-N
MW280.13 g/mol
LogP2.27
Rot. Bonds1

About 1-(2,6-dichloro-5-fluoropyrimidin-4-yl)-4-methylpiperidin-4-ol

1-(2,6-dichloro-5-fluoropyrimidin-4-yl)-4-methylpiperidin-4-ol (PubChem CID 87758136) has the molecular formula C10H12Cl2FN3O and a molecular weight of 280.13 g/mol. Its IUPAC name is 1-(2,6-dichloro-5-fluoropyrimidin-4-yl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2,6-dichloro-5-fluoropyrimidin-4-yl)-4-methylpiperidin-4-ol
PubChem CID87758136
Molecular FormulaC10H12Cl2FN3O
Molecular Weight280.13 g/mol
Exact Mass279.03
IUPAC Name1-(2,6-dichloro-5-fluoropyrimidin-4-yl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2nc(Cl)nc(Cl)c2F)CC1
InChIInChI=1S/C10H12Cl2FN3O/c1-10(17)2-4-16(5-3-10)8-6(13)7(11)14-9(12)15-8/h17H,2-5H2,1H3
InChIKeyWNTAPTJMWUPTPS-UHFFFAOYSA-N
XLogP2.27
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-5-fluoropyrimidin-4-yl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(2,6-dichloro-5-fluoropyrimidin-4-yl)-4-methylpiperidin-4-ol (CID 87758136) is 1-(2,6-dichloro-5-fluoropyrimidin-4-yl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(2,6-dichloro-5-fluoropyrimidin-4-yl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(2,6-dichloro-5-fluoropyrimidin-4-yl)-4-methylpiperidin-4-ol is CC1(O)CCN(c2nc(Cl)nc(Cl)c2F)CC1.
What is the InChIKey of 1-(2,6-dichloro-5-fluoropyrimidin-4-yl)-4-methylpiperidin-4-ol?
The InChIKey is WNTAPTJMWUPTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2FN3O/c1-10(17)2-4-16(5-3-10)8-6(13)7(11)14-9(12)15-8/h17H,2-5H2,1H3.
What are the key properties of 1-(2,6-dichloro-5-fluoropyrimidin-4-yl)-4-methylpiperidin-4-ol?
1-(2,6-dichloro-5-fluoropyrimidin-4-yl)-4-methylpiperidin-4-ol has a molecular weight of 280.13 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-5-fluoropyrimidin-4-yl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 87758136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).