4-chloro-5-ethyl-2-methyl-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine

C17H26ClN3O2 — CID 133453102

IUPAC4-chloro-5-ethyl-2-methyl-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine
SMILESCCc1c(Cl)nc(C)nc1N1CCC(OCC2CCOC2)CC1
InChIInChI=1S/C17H26ClN3O2/c1-3-15-16(18)19-12(2)20-17(15)21-7-4-14(5-8-21)23-11-13-6-9-22-10-13/h13-14H,3-11H2,1-2H3
InChIKeyRKWQXZOCPSAMKV-UHFFFAOYSA-N
MW339.87 g/mol
LogP3.02
Rot. Bonds5

About 4-chloro-5-ethyl-2-methyl-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine

4-chloro-5-ethyl-2-methyl-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine (PubChem CID 133453102) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 4-chloro-5-ethyl-2-methyl-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-2-methyl-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine
PubChem CID133453102
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name4-chloro-5-ethyl-2-methyl-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine
SMILESCCc1c(Cl)nc(C)nc1N1CCC(OCC2CCOC2)CC1
InChIInChI=1S/C17H26ClN3O2/c1-3-15-16(18)19-12(2)20-17(15)21-7-4-14(5-8-21)23-11-13-6-9-22-10-13/h13-14H,3-11H2,1-2H3
InChIKeyRKWQXZOCPSAMKV-UHFFFAOYSA-N
XLogP3.02
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 71996674
4-chloro-6-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-5-ethyl-2-methylpyrimidine
CID 133318568
methyl 4-chloro-2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 133453113
8-methyl-4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinazoline
CID 133453289
2-ethoxy-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrazine
CID 133453179
2-[[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethanol
CID 133437535
3-methyl-5-nitro-2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyridine
CID 133453194
3-(4-methylphenyl)-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-1,2,4-oxadiazole
CID 133453174
2-(2-methylimidazol-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrazine
CID 133453081
2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-5-propyl-1,3,4-thiadiazole
CID 133453144
[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 71998117
2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133453307

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-2-methyl-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-chloro-5-ethyl-2-methyl-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine (CID 133453102) is 4-chloro-5-ethyl-2-methyl-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-2-methyl-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-2-methyl-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine is CCc1c(Cl)nc(C)nc1N1CCC(OCC2CCOC2)CC1.
What is the InChIKey of 4-chloro-5-ethyl-2-methyl-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine?
The InChIKey is RKWQXZOCPSAMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-3-15-16(18)19-12(2)20-17(15)21-7-4-14(5-8-21)23-11-13-6-9-22-10-13/h13-14H,3-11H2,1-2H3.
What are the key properties of 4-chloro-5-ethyl-2-methyl-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine?
4-chloro-5-ethyl-2-methyl-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine has a molecular weight of 339.87 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-2-methyl-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 133453102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).