6-[4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione

C18H24N4O5 — CID 72846969

IUPAC6-[4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(C(=O)N2CCN(Cc3ccoc3)C(CCO)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C18H24N4O5/c1-19-15(9-16(24)20(2)18(19)26)17(25)22-6-5-21(14(11-22)3-7-23)10-13-4-8-27-12-13/h4,8-9,12,14,23H,3,5-7,10-11H2,1-2H3
InChIKeyGZOKMOYVPKPXBH-UHFFFAOYSA-N
MW376.41 g/mol
LogP-0.61
Rot. Bonds5

About 6-[4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione

6-[4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 72846969) has the molecular formula C18H24N4O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is 6-[4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID72846969
Molecular FormulaC18H24N4O5
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Name6-[4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(C(=O)N2CCN(Cc3ccoc3)C(CCO)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C18H24N4O5/c1-19-15(9-16(24)20(2)18(19)26)17(25)22-6-5-21(14(11-22)3-7-23)10-13-4-8-27-12-13/h4,8-9,12,14,23H,3,5-7,10-11H2,1-2H3
InChIKeyGZOKMOYVPKPXBH-UHFFFAOYSA-N
XLogP-0.61
TPSA100.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione (CID 72846969) is 6-[4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(C(=O)N2CCN(Cc3ccoc3)C(CCO)C2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is GZOKMOYVPKPXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5/c1-19-15(9-16(24)20(2)18(19)26)17(25)22-6-5-21(14(11-22)3-7-23)10-13-4-8-27-12-13/h4,8-9,12,14,23H,3,5-7,10-11H2,1-2H3.
What are the key properties of 6-[4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 376.41 g/mol, XLogP of -0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 72846969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).