(2,5-dimethylfuran-3-yl)-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C19H25N5O2 — CID 122343791

IUPAC(2,5-dimethylfuran-3-yl)-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3ccnc(N4CCCC4)n3)CC2)c(C)o1
InChIInChI=1S/C19H25N5O2/c1-14-13-16(15(2)26-14)18(25)23-11-9-22(10-12-23)17-5-6-20-19(21-17)24-7-3-4-8-24/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyHQTUOMDSACZADF-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.25
Rot. Bonds3

About (2,5-dimethylfuran-3-yl)-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

(2,5-dimethylfuran-3-yl)-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 122343791) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID122343791
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name(2,5-dimethylfuran-3-yl)-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3ccnc(N4CCCC4)n3)CC2)c(C)o1
InChIInChI=1S/C19H25N5O2/c1-14-13-16(15(2)26-14)18(25)23-11-9-22(10-12-23)17-5-6-20-19(21-17)24-7-3-4-8-24/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyHQTUOMDSACZADF-UHFFFAOYSA-N
XLogP2.25
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,5-dimethylfuran-3-yl)-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone 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

3-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]chromen-2-one
CID 70703025
(2,5-dimethylfuran-3-yl)-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333529
(2-bromophenyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344318
(5-methylpyrazin-2-yl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344221
(2,5-dimethylfuran-3-yl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121113824
(3-fluoro-4-methylphenyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344165
2,5-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]furan-3-carboxamide
CID 122317438
(2,5-dimethylfuran-3-yl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122346868
(5-chlorothiophen-2-yl)-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343810
2-(3-methylphenyl)-1-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122344113
1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 2101213
N-(4-methylphenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921370

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 122343791) is (2,5-dimethylfuran-3-yl)-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(c3ccnc(N4CCCC4)n3)CC2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is HQTUOMDSACZADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14-13-16(15(2)26-14)18(25)23-11-9-22(10-12-23)17-5-6-20-19(21-17)24-7-3-4-8-24/h5-6,13H,3-4,7-12H2,1-2H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
(2,5-dimethylfuran-3-yl)-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 355.44 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122343791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).