2-(ethoxymethyl)-4-[2-(furan-2-yl)piperidin-1-yl]-6-methylpyrimidine

C17H23N3O2 — CID 138053095

IUPAC2-(ethoxymethyl)-4-[2-(furan-2-yl)piperidin-1-yl]-6-methylpyrimidine
SMILESCCOCc1nc(C)cc(N2CCCCC2c2ccco2)n1
InChIInChI=1S/C17H23N3O2/c1-3-21-12-16-18-13(2)11-17(19-16)20-9-5-4-7-14(20)15-8-6-10-22-15/h6,8,10-11,14H,3-5,7,9,12H2,1-2H3
InChIKeyLFBTWTYQXVCRBN-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.65
Rot. Bonds5

About 2-(ethoxymethyl)-4-[2-(furan-2-yl)piperidin-1-yl]-6-methylpyrimidine

2-(ethoxymethyl)-4-[2-(furan-2-yl)piperidin-1-yl]-6-methylpyrimidine (PubChem CID 138053095) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4-[2-(furan-2-yl)piperidin-1-yl]-6-methylpyrimidine.

Molecular Properties

Compound Name2-(ethoxymethyl)-4-[2-(furan-2-yl)piperidin-1-yl]-6-methylpyrimidine
PubChem CID138053095
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-(ethoxymethyl)-4-[2-(furan-2-yl)piperidin-1-yl]-6-methylpyrimidine
SMILESCCOCc1nc(C)cc(N2CCCCC2c2ccco2)n1
InChIInChI=1S/C17H23N3O2/c1-3-21-12-16-18-13(2)11-17(19-16)20-9-5-4-7-14(20)15-8-6-10-22-15/h6,8,10-11,14H,3-5,7,9,12H2,1-2H3
InChIKeyLFBTWTYQXVCRBN-UHFFFAOYSA-N
XLogP3.65
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(furan-2-yl)piperidin-1-yl]-2-methoxy-6-methylpyrimidine
CID 136530979
2-(methoxymethyl)-4-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-6-methylpyrimidine
CID 119032937
1-[2-(ethoxymethyl)-6-methylpyrimidin-4-yl]-N,N,2-trimethylpyrrolidin-3-amine
CID 136561972
2-[(2S)-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-1H-benzimidazole
CID 97223890
5-fluoro-2-[2-(furan-2-yl)pyrrolidin-1-yl]pyridine
CID 119040542
4-(2-ethylpiperidin-1-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine
CID 112915344
(2R)-2-(furan-2-yl)-1-propylpiperidine
CID 124500851
(2S)-1-butyl-2-(furan-2-yl)piperidine
CID 124500858
2-(methoxymethyl)-4-methyl-6-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]pyrimidine
CID 97055608
(2S)-2-(furan-2-yl)-1-propan-2-ylpiperidine
CID 124500854
4-[(2R)-2-(2-methoxyphenyl)azepan-1-yl]-6-methylpyrimidin-2-amine
CID 146193903
methyl 2-[(2R)-2-(furan-2-yl)azepan-1-yl]acetate
CID 95632349

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-4-[2-(furan-2-yl)piperidin-1-yl]-6-methylpyrimidine?
The IUPAC name of 2-(ethoxymethyl)-4-[2-(furan-2-yl)piperidin-1-yl]-6-methylpyrimidine (CID 138053095) is 2-(ethoxymethyl)-4-[2-(furan-2-yl)piperidin-1-yl]-6-methylpyrimidine.
What is the SMILES notation for 2-(ethoxymethyl)-4-[2-(furan-2-yl)piperidin-1-yl]-6-methylpyrimidine?
The canonical SMILES for 2-(ethoxymethyl)-4-[2-(furan-2-yl)piperidin-1-yl]-6-methylpyrimidine is CCOCc1nc(C)cc(N2CCCCC2c2ccco2)n1.
What is the InChIKey of 2-(ethoxymethyl)-4-[2-(furan-2-yl)piperidin-1-yl]-6-methylpyrimidine?
The InChIKey is LFBTWTYQXVCRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-21-12-16-18-13(2)11-17(19-16)20-9-5-4-7-14(20)15-8-6-10-22-15/h6,8,10-11,14H,3-5,7,9,12H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-4-[2-(furan-2-yl)piperidin-1-yl]-6-methylpyrimidine?
2-(ethoxymethyl)-4-[2-(furan-2-yl)piperidin-1-yl]-6-methylpyrimidine has a molecular weight of 301.39 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4-[2-(furan-2-yl)piperidin-1-yl]-6-methylpyrimidine is sourced from PubChem (CID 138053095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).