2-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]oxy-5-methoxypyrimidine

C15H17ClN4O2 — CID 171701732

IUPAC2-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]oxy-5-methoxypyrimidine
SMILESCOc1cnc(OC2CCCN(c3ccc(Cl)cn3)C2)nc1
InChIInChI=1S/C15H17ClN4O2/c1-21-13-8-18-15(19-9-13)22-12-3-2-6-20(10-12)14-5-4-11(16)7-17-14/h4-5,7-9,12H,2-3,6,10H2,1H3
InChIKeyRQYGDNDZJSUXCK-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.58
Rot. Bonds4

About 2-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]oxy-5-methoxypyrimidine

2-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]oxy-5-methoxypyrimidine (PubChem CID 171701732) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 2-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]oxy-5-methoxypyrimidine.

Molecular Properties

Compound Name2-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]oxy-5-methoxypyrimidine
PubChem CID171701732
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name2-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]oxy-5-methoxypyrimidine
SMILESCOc1cnc(OC2CCCN(c3ccc(Cl)cn3)C2)nc1
InChIInChI=1S/C15H17ClN4O2/c1-21-13-8-18-15(19-9-13)22-12-3-2-6-20(10-12)14-5-4-11(16)7-17-14/h4-5,7-9,12H,2-3,6,10H2,1H3
InChIKeyRQYGDNDZJSUXCK-UHFFFAOYSA-N
XLogP2.58
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine
CID 171701723
5-methoxy-2-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxypyrimidine
CID 163345898
4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine
CID 171701040
6-chloro-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]quinoxaline
CID 163349464
2-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine
CID 171701024
2-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]oxy-5-methylpyrimidine
CID 172900064
2-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163345881
2-[1-(3-chloro-4-pyridinyl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163345883
5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyridine
CID 115871255
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methoxyphenyl)methanone
CID 122259305
2-(3-bromopiperidin-1-yl)-5-methoxypyridine
CID 106505131
6-fluoro-4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]quinazoline
CID 171702618

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]oxy-5-methoxypyrimidine?
The IUPAC name of 2-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]oxy-5-methoxypyrimidine (CID 171701732) is 2-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]oxy-5-methoxypyrimidine.
What is the SMILES notation for 2-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]oxy-5-methoxypyrimidine?
The canonical SMILES for 2-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]oxy-5-methoxypyrimidine is COc1cnc(OC2CCCN(c3ccc(Cl)cn3)C2)nc1.
What is the InChIKey of 2-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]oxy-5-methoxypyrimidine?
The InChIKey is RQYGDNDZJSUXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-21-13-8-18-15(19-9-13)22-12-3-2-6-20(10-12)14-5-4-11(16)7-17-14/h4-5,7-9,12H,2-3,6,10H2,1H3.
What are the key properties of 2-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]oxy-5-methoxypyrimidine?
2-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]oxy-5-methoxypyrimidine has a molecular weight of 320.78 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]oxy-5-methoxypyrimidine is sourced from PubChem (CID 171701732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).