2-chloro-5-fluoro-4-(1-methylpiperidin-4-yl)oxypyrimidine

C10H13ClFN3O — CID 79081141

IUPAC2-chloro-5-fluoro-4-(1-methylpiperidin-4-yl)oxypyrimidine
SMILESCN1CCC(Oc2nc(Cl)ncc2F)CC1
InChIInChI=1S/C10H13ClFN3O/c1-15-4-2-7(3-5-15)16-9-8(12)6-13-10(11)14-9/h6-7H,2-5H2,1H3
InChIKeyYAYUKUCNELPCRK-UHFFFAOYSA-N
MW245.68 g/mol
LogP1.74
Rot. Bonds2

About 2-chloro-5-fluoro-4-(1-methylpiperidin-4-yl)oxypyrimidine

2-chloro-5-fluoro-4-(1-methylpiperidin-4-yl)oxypyrimidine (PubChem CID 79081141) has the molecular formula C10H13ClFN3O and a molecular weight of 245.68 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(1-methylpiperidin-4-yl)oxypyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(1-methylpiperidin-4-yl)oxypyrimidine
PubChem CID79081141
Molecular FormulaC10H13ClFN3O
Molecular Weight245.68 g/mol
Exact Mass245.07
IUPAC Name2-chloro-5-fluoro-4-(1-methylpiperidin-4-yl)oxypyrimidine
SMILESCN1CCC(Oc2nc(Cl)ncc2F)CC1
InChIInChI=1S/C10H13ClFN3O/c1-15-4-2-7(3-5-15)16-9-8(12)6-13-10(11)14-9/h6-7H,2-5H2,1H3
InChIKeyYAYUKUCNELPCRK-UHFFFAOYSA-N
XLogP1.74
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-(1-methylpiperidin-4-yl)oxypyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(1-methylpiperidin-4-yl)oxypyrimidine (CID 79081141) is 2-chloro-5-fluoro-4-(1-methylpiperidin-4-yl)oxypyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(1-methylpiperidin-4-yl)oxypyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(1-methylpiperidin-4-yl)oxypyrimidine is CN1CCC(Oc2nc(Cl)ncc2F)CC1.
What is the InChIKey of 2-chloro-5-fluoro-4-(1-methylpiperidin-4-yl)oxypyrimidine?
The InChIKey is YAYUKUCNELPCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3O/c1-15-4-2-7(3-5-15)16-9-8(12)6-13-10(11)14-9/h6-7H,2-5H2,1H3.
What are the key properties of 2-chloro-5-fluoro-4-(1-methylpiperidin-4-yl)oxypyrimidine?
2-chloro-5-fluoro-4-(1-methylpiperidin-4-yl)oxypyrimidine has a molecular weight of 245.68 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-(1-methylpiperidin-4-yl)oxypyrimidine is sourced from PubChem (CID 79081141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).