2-(furan-2-yl)-5-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine

C21H23N3O2 — CID 95869290

IUPAC2-(furan-2-yl)-5-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine
SMILESCOc1cccc([C@@H]2CCCCN2Cc2cnc(-c3ccco3)nc2)c1
InChIInChI=1S/C21H23N3O2/c1-25-18-7-4-6-17(12-18)19-8-2-3-10-24(19)15-16-13-22-21(23-14-16)20-9-5-11-26-20/h4-7,9,11-14,19H,2-3,8,10,15H2,1H3/t19-/m0/s1
InChIKeyCYHBIKTUWFYMPG-IBGZPJMESA-N
MW349.43 g/mol
LogP4.47
Rot. Bonds5

About 2-(furan-2-yl)-5-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine

2-(furan-2-yl)-5-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine (PubChem CID 95869290) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine
PubChem CID95869290
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-(furan-2-yl)-5-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine
SMILESCOc1cccc([C@@H]2CCCCN2Cc2cnc(-c3ccco3)nc2)c1
InChIInChI=1S/C21H23N3O2/c1-25-18-7-4-6-17(12-18)19-8-2-3-10-24(19)15-16-13-22-21(23-14-16)20-9-5-11-26-20/h4-7,9,11-14,19H,2-3,8,10,15H2,1H3/t19-/m0/s1
InChIKeyCYHBIKTUWFYMPG-IBGZPJMESA-N
XLogP4.47
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(furan-2-yl)-5-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
CID 77087919
2-[[2-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 118771820
4-[5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine
CID 92626570
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 41415182
methyl 3-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzoate
CID 56906374
4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-2-[(3-methoxyphenyl)methyl]morpholine
CID 56867304
3-[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]propanoic acid
CID 95716440
3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872941
4-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 95844879
4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 122138322
5-[(2S)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 95712932

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-(furan-2-yl)-5-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine (CID 95869290) is 2-(furan-2-yl)-5-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-(furan-2-yl)-5-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-(furan-2-yl)-5-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine is COc1cccc([C@@H]2CCCCN2Cc2cnc(-c3ccco3)nc2)c1.
What is the InChIKey of 2-(furan-2-yl)-5-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine?
The InChIKey is CYHBIKTUWFYMPG-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23N3O2/c1-25-18-7-4-6-17(12-18)19-8-2-3-10-24(19)15-16-13-22-21(23-14-16)20-9-5-11-26-20/h4-7,9,11-14,19H,2-3,8,10,15H2,1H3/t19-/m0/s1.
What are the key properties of 2-(furan-2-yl)-5-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine?
2-(furan-2-yl)-5-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine has a molecular weight of 349.43 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 95869290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).