1,3-dimethyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrimidine-2,4-dione

C20H24N4O3 — CID 84557073

IUPAC1,3-dimethyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrimidine-2,4-dione
SMILESCn1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C20H24N4O3/c1-21-15-17(18(25)22(2)20(21)27)19(26)24-13-11-23(12-14-24)10-6-9-16-7-4-3-5-8-16/h3-9,15H,10-14H2,1-2H3/b9-6+
InChIKeyQCIIJYPBJOLPMN-RMKNXTFCSA-N
MW368.44 g/mol
LogP0.56
Rot. Bonds4

About 1,3-dimethyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrimidine-2,4-dione

1,3-dimethyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrimidine-2,4-dione (PubChem CID 84557073) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1,3-dimethyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrimidine-2,4-dione
PubChem CID84557073
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name1,3-dimethyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrimidine-2,4-dione
SMILESCn1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C20H24N4O3/c1-21-15-17(18(25)22(2)20(21)27)19(26)24-13-11-23(12-14-24)10-6-9-16-7-4-3-5-8-16/h3-9,15H,10-14H2,1-2H3/b9-6+
InChIKeyQCIIJYPBJOLPMN-RMKNXTFCSA-N
XLogP0.56
TPSA67.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrimidine-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

Related Compounds

(2-methylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 755573
(2-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4177112
(1-methylpyrrol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 110762690
2-(2-methoxyethyl)-4-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]isoquinolin-1-one
CID 71964720
(1-ethylindol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 112798203
(3-methyl-1-propylpyrazol-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 72864146
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
[3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6103975
4-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]fluoren-9-one
CID 23855199
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484
(3,5-dimethylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4649458

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrimidine-2,4-dione (CID 84557073) is 1,3-dimethyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrimidine-2,4-dione is Cn1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrimidine-2,4-dione?
The InChIKey is QCIIJYPBJOLPMN-RMKNXTFCSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-21-15-17(18(25)22(2)20(21)27)19(26)24-13-11-23(12-14-24)10-6-9-16-7-4-3-5-8-16/h3-9,15H,10-14H2,1-2H3/b9-6+.
What are the key properties of 1,3-dimethyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrimidine-2,4-dione has a molecular weight of 368.44 g/mol, XLogP of 0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrimidine-2,4-dione is sourced from PubChem (CID 84557073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).