4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)-2-piperidin-1-ylpyrimidin-1-ium

C20H23N4O+ — CID 163577516

IUPAC4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)-2-piperidin-1-ylpyrimidin-1-ium
SMILESCc1cc(-c2c[nH+]c(N3CCCCC3)nc2-c2ccoc2C)ccn1
InChIInChI=1S/C20H22N4O/c1-14-12-16(6-8-21-14)18-13-22-20(24-9-4-3-5-10-24)23-19(18)17-7-11-25-15(17)2/h6-8,11-13H,3-5,9-10H2,1-2H3/p+1
InChIKeyGETUQSYAQLTDJE-UHFFFAOYSA-O
MW335.43 g/mol
LogP3.82
Rot. Bonds3

About 4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)-2-piperidin-1-ylpyrimidin-1-ium

4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)-2-piperidin-1-ylpyrimidin-1-ium (PubChem CID 163577516) has the molecular formula C20H23N4O+ and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)-2-piperidin-1-ylpyrimidin-1-ium.

Molecular Properties

Compound Name4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)-2-piperidin-1-ylpyrimidin-1-ium
PubChem CID163577516
Molecular FormulaC20H23N4O+
Molecular Weight335.43 g/mol
Exact Mass335.19
IUPAC Name4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)-2-piperidin-1-ylpyrimidin-1-ium
SMILESCc1cc(-c2c[nH+]c(N3CCCCC3)nc2-c2ccoc2C)ccn1
InChIInChI=1S/C20H22N4O/c1-14-12-16(6-8-21-14)18-13-22-20(24-9-4-3-5-10-24)23-19(18)17-7-11-25-15(17)2/h6-8,11-13H,3-5,9-10H2,1-2H3/p+1
InChIKeyGETUQSYAQLTDJE-UHFFFAOYSA-O
XLogP3.82
TPSA56.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)-2-piperidin-1-ylpyrimidin-1-ium 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

(2R,6S)-2,6-dimethyl-4-[4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]morpholine;hydrochloride
CID 86702429
(2S)-2-methyl-4-[6-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrazin-2-yl]-6-methylidenemorpholine
CID 163837665
5-[2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-(2-methylfuran-3-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole
CID 124912884
ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine
CID 178079017
methyl 2-[1-[4-(2-methyl-4-pyridinyl)phenyl]azetidin-3-yl]acetate
CID 172578240
(2R,6S)-4-[5-(2,3-dimethyl-4-pyridinyl)-4-(2-methylfuran-3-yl)pyrimidin-2-yl]-2,6-dimethylmorpholine
CID 142717581
1-[4-(2-methyl-4-pyridinyl)phenyl]-3-(4-piperidin-1-ylphenyl)butan-2-one
CID 58335434
N-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 141306433
4-(2-methylfuran-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylpyrimidin-2-amine
CID 92606418
2,6-dimethyl-4-[4-(2-methylfuran-3-yl)pyrimidin-2-yl]morpholine
CID 67513642
2-(2-methylfuran-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 113453444
(9S)-3,4-dimethyl-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 121350754

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)-2-piperidin-1-ylpyrimidin-1-ium?
The IUPAC name of 4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)-2-piperidin-1-ylpyrimidin-1-ium (CID 163577516) is 4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)-2-piperidin-1-ylpyrimidin-1-ium.
What is the SMILES notation for 4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)-2-piperidin-1-ylpyrimidin-1-ium?
The canonical SMILES for 4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)-2-piperidin-1-ylpyrimidin-1-ium is Cc1cc(-c2c[nH+]c(N3CCCCC3)nc2-c2ccoc2C)ccn1.
What is the InChIKey of 4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)-2-piperidin-1-ylpyrimidin-1-ium?
The InChIKey is GETUQSYAQLTDJE-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H22N4O/c1-14-12-16(6-8-21-14)18-13-22-20(24-9-4-3-5-10-24)23-19(18)17-7-11-25-15(17)2/h6-8,11-13H,3-5,9-10H2,1-2H3/p+1.
What are the key properties of 4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)-2-piperidin-1-ylpyrimidin-1-ium?
4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)-2-piperidin-1-ylpyrimidin-1-ium has a molecular weight of 335.43 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)-2-piperidin-1-ylpyrimidin-1-ium is sourced from PubChem (CID 163577516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).