2-(furan-2-yl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]pyrimidine

C21H23N3O2 — CID 56915979

IUPAC2-(furan-2-yl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]pyrimidine
SMILESc1ccc(COC2CCN(Cc3cnc(-c4ccco4)nc3)CC2)cc1
InChIInChI=1S/C21H23N3O2/c1-2-5-17(6-3-1)16-26-19-8-10-24(11-9-19)15-18-13-22-21(23-14-18)20-7-4-12-25-20/h1-7,12-14,19H,8-11,15-16H2
InChIKeyQJMYDYIFQNLKJQ-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.92
Rot. Bonds6

About 2-(furan-2-yl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]pyrimidine

2-(furan-2-yl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]pyrimidine (PubChem CID 56915979) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]pyrimidine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]pyrimidine
PubChem CID56915979
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-(furan-2-yl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]pyrimidine
SMILESc1ccc(COC2CCN(Cc3cnc(-c4ccco4)nc3)CC2)cc1
InChIInChI=1S/C21H23N3O2/c1-2-5-17(6-3-1)16-26-19-8-10-24(11-9-19)15-18-13-22-21(23-14-18)20-7-4-12-25-20/h1-7,12-14,19H,8-11,15-16H2
InChIKeyQJMYDYIFQNLKJQ-UHFFFAOYSA-N
XLogP3.92
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(furan-2-yl)-5-[(4-phenylmethoxypiperidin-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

2-(furan-2-yl)-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyrimidine
CID 95725231
1-benzyl-4-phenylmethoxypiperidine
CID 15892976
1-benzyl-4-phenylmethoxypiperidine;hydrochloride
CID 18919828
3-[[(3S)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]methyl]benzoic acid
CID 95727767
[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]-phenylmethanone
CID 56917412
1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-1,4-diazepane
CID 70752557
4-[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 135882171
(3R,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(pyrimidin-2-ylamino)piperidin-3-ol
CID 118766424
5-[(4-phenylmethoxypiperidin-1-yl)methyl]quinoxaline
CID 56901960
2-methyl-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-thiadiazole
CID 118782893
1-[2-(2-ethylimidazol-1-yl)ethyl]-4-phenylmethoxypiperidine
CID 91829581
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 55489912

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]pyrimidine?
The IUPAC name of 2-(furan-2-yl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]pyrimidine (CID 56915979) is 2-(furan-2-yl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]pyrimidine.
What is the SMILES notation for 2-(furan-2-yl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]pyrimidine?
The canonical SMILES for 2-(furan-2-yl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]pyrimidine is c1ccc(COC2CCN(Cc3cnc(-c4ccco4)nc3)CC2)cc1.
What is the InChIKey of 2-(furan-2-yl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]pyrimidine?
The InChIKey is QJMYDYIFQNLKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-2-5-17(6-3-1)16-26-19-8-10-24(11-9-19)15-18-13-22-21(23-14-18)20-7-4-12-25-20/h1-7,12-14,19H,8-11,15-16H2.
What are the key properties of 2-(furan-2-yl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]pyrimidine?
2-(furan-2-yl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]pyrimidine has a molecular weight of 349.43 g/mol, XLogP of 3.92, 6 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-[(4-phenylmethoxypiperidin-1-yl)methyl]pyrimidine is sourced from PubChem (CID 56915979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).