4-chloro-6-(1-methylpiperidin-4-yl)oxypyrimidine

C10H14ClN3O — CID 61283220

IUPAC4-chloro-6-(1-methylpiperidin-4-yl)oxypyrimidine
SMILESCN1CCC(Oc2cc(Cl)ncn2)CC1
InChIInChI=1S/C10H14ClN3O/c1-14-4-2-8(3-5-14)15-10-6-9(11)12-7-13-10/h6-8H,2-5H2,1H3
InChIKeyJSUNPNKUCIOCIO-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.60
Rot. Bonds2

About 4-chloro-6-(1-methylpiperidin-4-yl)oxypyrimidine

4-chloro-6-(1-methylpiperidin-4-yl)oxypyrimidine (PubChem CID 61283220) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-chloro-6-(1-methylpiperidin-4-yl)oxypyrimidine.

Molecular Properties

Compound Name4-chloro-6-(1-methylpiperidin-4-yl)oxypyrimidine
PubChem CID61283220
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name4-chloro-6-(1-methylpiperidin-4-yl)oxypyrimidine
SMILESCN1CCC(Oc2cc(Cl)ncn2)CC1
InChIInChI=1S/C10H14ClN3O/c1-14-4-2-8(3-5-14)15-10-6-9(11)12-7-13-10/h6-8H,2-5H2,1H3
InChIKeyJSUNPNKUCIOCIO-UHFFFAOYSA-N
XLogP1.60
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-methylpiperidin-4-yl)oxypyrimidine?
The IUPAC name of 4-chloro-6-(1-methylpiperidin-4-yl)oxypyrimidine (CID 61283220) is 4-chloro-6-(1-methylpiperidin-4-yl)oxypyrimidine.
What is the SMILES notation for 4-chloro-6-(1-methylpiperidin-4-yl)oxypyrimidine?
The canonical SMILES for 4-chloro-6-(1-methylpiperidin-4-yl)oxypyrimidine is CN1CCC(Oc2cc(Cl)ncn2)CC1.
What is the InChIKey of 4-chloro-6-(1-methylpiperidin-4-yl)oxypyrimidine?
The InChIKey is JSUNPNKUCIOCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-14-4-2-8(3-5-14)15-10-6-9(11)12-7-13-10/h6-8H,2-5H2,1H3.
What are the key properties of 4-chloro-6-(1-methylpiperidin-4-yl)oxypyrimidine?
4-chloro-6-(1-methylpiperidin-4-yl)oxypyrimidine has a molecular weight of 227.69 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1-methylpiperidin-4-yl)oxypyrimidine is sourced from PubChem (CID 61283220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).