2-[4-(6-chloropyrazin-2-yl)oxypiperidin-1-yl]-4-methyl-6-phenoxypyrimidine

C20H20ClN5O2 — CID 154850968

IUPAC2-[4-(6-chloropyrazin-2-yl)oxypiperidin-1-yl]-4-methyl-6-phenoxypyrimidine
SMILESCc1cc(Oc2ccccc2)nc(N2CCC(Oc3cncc(Cl)n3)CC2)n1
InChIInChI=1S/C20H20ClN5O2/c1-14-11-18(27-15-5-3-2-4-6-15)25-20(23-14)26-9-7-16(8-10-26)28-19-13-22-12-17(21)24-19/h2-6,11-13,16H,7-10H2,1H3
InChIKeyRDGBMFSXGUFGSQ-UHFFFAOYSA-N
MW397.87 g/mol
LogP4.07
Rot. Bonds5

About 2-[4-(6-chloropyrazin-2-yl)oxypiperidin-1-yl]-4-methyl-6-phenoxypyrimidine

2-[4-(6-chloropyrazin-2-yl)oxypiperidin-1-yl]-4-methyl-6-phenoxypyrimidine (PubChem CID 154850968) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is 2-[4-(6-chloropyrazin-2-yl)oxypiperidin-1-yl]-4-methyl-6-phenoxypyrimidine.

Molecular Properties

Compound Name2-[4-(6-chloropyrazin-2-yl)oxypiperidin-1-yl]-4-methyl-6-phenoxypyrimidine
PubChem CID154850968
Molecular FormulaC20H20ClN5O2
Molecular Weight397.87 g/mol
Exact Mass397.13
IUPAC Name2-[4-(6-chloropyrazin-2-yl)oxypiperidin-1-yl]-4-methyl-6-phenoxypyrimidine
SMILESCc1cc(Oc2ccccc2)nc(N2CCC(Oc3cncc(Cl)n3)CC2)n1
InChIInChI=1S/C20H20ClN5O2/c1-14-11-18(27-15-5-3-2-4-6-15)25-20(23-14)26-9-7-16(8-10-26)28-19-13-22-12-17(21)24-19/h2-6,11-13,16H,7-10H2,1H3
InChIKeyRDGBMFSXGUFGSQ-UHFFFAOYSA-N
XLogP4.07
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-6-phenoxy-2-[3-(pyridin-3-ylmethoxy)pyrrolidin-1-yl]pyrimidine
CID 154844891
4-methyl-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-6-phenoxypyrimidine
CID 154844888
4-[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]oxybenzoic acid
CID 71563644
4-cyclobutyloxy-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 122478866
2-chloro-6-[1-[(4-pyrazin-2-yloxyphenyl)methyl]piperidin-4-yl]oxypyrazine
CID 154806612
5-[[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperazin-1-yl]methyl]pyridine-3-carbonitrile
CID 154871336
(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 110150050
4-chloro-2-(4-phenoxypiperidin-1-yl)pyrimidine
CID 176574621
9-(4-methyl-6-phenoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 118960378
6-methyl-N-(4-phenoxyphenyl)-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322398
2-methyl-6-(1-pyrimidin-4-ylpiperidin-4-yl)oxypyrazine
CID 171701885
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-6-methylpyrazine
CID 171700905

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloropyrazin-2-yl)oxypiperidin-1-yl]-4-methyl-6-phenoxypyrimidine?
The IUPAC name of 2-[4-(6-chloropyrazin-2-yl)oxypiperidin-1-yl]-4-methyl-6-phenoxypyrimidine (CID 154850968) is 2-[4-(6-chloropyrazin-2-yl)oxypiperidin-1-yl]-4-methyl-6-phenoxypyrimidine.
What is the SMILES notation for 2-[4-(6-chloropyrazin-2-yl)oxypiperidin-1-yl]-4-methyl-6-phenoxypyrimidine?
The canonical SMILES for 2-[4-(6-chloropyrazin-2-yl)oxypiperidin-1-yl]-4-methyl-6-phenoxypyrimidine is Cc1cc(Oc2ccccc2)nc(N2CCC(Oc3cncc(Cl)n3)CC2)n1.
What is the InChIKey of 2-[4-(6-chloropyrazin-2-yl)oxypiperidin-1-yl]-4-methyl-6-phenoxypyrimidine?
The InChIKey is RDGBMFSXGUFGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2/c1-14-11-18(27-15-5-3-2-4-6-15)25-20(23-14)26-9-7-16(8-10-26)28-19-13-22-12-17(21)24-19/h2-6,11-13,16H,7-10H2,1H3.
What are the key properties of 2-[4-(6-chloropyrazin-2-yl)oxypiperidin-1-yl]-4-methyl-6-phenoxypyrimidine?
2-[4-(6-chloropyrazin-2-yl)oxypiperidin-1-yl]-4-methyl-6-phenoxypyrimidine has a molecular weight of 397.87 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloropyrazin-2-yl)oxypiperidin-1-yl]-4-methyl-6-phenoxypyrimidine is sourced from PubChem (CID 154850968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).