3,6-dimethyl-1-phenyl-5-(4-propanoylpiperazin-1-yl)pyrimidine-2,4-dione

C19H24N4O3 — CID 46324313

IUPAC3,6-dimethyl-1-phenyl-5-(4-propanoylpiperazin-1-yl)pyrimidine-2,4-dione
SMILESCCC(=O)N1CCN(c2c(C)n(-c3ccccc3)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C19H24N4O3/c1-4-16(24)21-10-12-22(13-11-21)17-14(2)23(15-8-6-5-7-9-15)19(26)20(3)18(17)25/h5-9H,4,10-13H2,1-3H3
InChIKeyMJIWABFENITIIQ-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.90
Rot. Bonds3

About 3,6-dimethyl-1-phenyl-5-(4-propanoylpiperazin-1-yl)pyrimidine-2,4-dione

3,6-dimethyl-1-phenyl-5-(4-propanoylpiperazin-1-yl)pyrimidine-2,4-dione (PubChem CID 46324313) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3,6-dimethyl-1-phenyl-5-(4-propanoylpiperazin-1-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3,6-dimethyl-1-phenyl-5-(4-propanoylpiperazin-1-yl)pyrimidine-2,4-dione
PubChem CID46324313
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name3,6-dimethyl-1-phenyl-5-(4-propanoylpiperazin-1-yl)pyrimidine-2,4-dione
SMILESCCC(=O)N1CCN(c2c(C)n(-c3ccccc3)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C19H24N4O3/c1-4-16(24)21-10-12-22(13-11-21)17-14(2)23(15-8-6-5-7-9-15)19(26)20(3)18(17)25/h5-9H,4,10-13H2,1-3H3
InChIKeyMJIWABFENITIIQ-UHFFFAOYSA-N
XLogP0.90
TPSA67.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione
CID 46324292
5-[4-[4-(diethylamino)benzoyl]piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione
CID 46324289
5-(4-benzylsulfonylpiperazin-1-yl)-3,6-dimethyl-1-phenylpyrimidine-2,4-dione
CID 20933008
5-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-3-ethyl-6-methyl-1-phenylpyrimidine-2,4-dione
CID 50781754
3,6-dimethyl-5-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrimidine-2,4-dione
CID 20933006
N-cyclopropyl-1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide
CID 50781728
5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione
CID 20933012
1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide
CID 92869473
1-(4-phenyl-1,4-diazepan-1-yl)propan-1-one
CID 110873765
1-(3-phenylimidazolidin-1-yl)propan-1-one
CID 102279123
1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 46324206
1-[4-(2,6-difluorophenyl)piperazin-1-yl]propan-1-one
CID 113081212

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-phenyl-5-(4-propanoylpiperazin-1-yl)pyrimidine-2,4-dione?
The IUPAC name of 3,6-dimethyl-1-phenyl-5-(4-propanoylpiperazin-1-yl)pyrimidine-2,4-dione (CID 46324313) is 3,6-dimethyl-1-phenyl-5-(4-propanoylpiperazin-1-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 3,6-dimethyl-1-phenyl-5-(4-propanoylpiperazin-1-yl)pyrimidine-2,4-dione?
The canonical SMILES for 3,6-dimethyl-1-phenyl-5-(4-propanoylpiperazin-1-yl)pyrimidine-2,4-dione is CCC(=O)N1CCN(c2c(C)n(-c3ccccc3)c(=O)n(C)c2=O)CC1.
What is the InChIKey of 3,6-dimethyl-1-phenyl-5-(4-propanoylpiperazin-1-yl)pyrimidine-2,4-dione?
The InChIKey is MJIWABFENITIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-4-16(24)21-10-12-22(13-11-21)17-14(2)23(15-8-6-5-7-9-15)19(26)20(3)18(17)25/h5-9H,4,10-13H2,1-3H3.
What are the key properties of 3,6-dimethyl-1-phenyl-5-(4-propanoylpiperazin-1-yl)pyrimidine-2,4-dione?
3,6-dimethyl-1-phenyl-5-(4-propanoylpiperazin-1-yl)pyrimidine-2,4-dione has a molecular weight of 356.43 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-phenyl-5-(4-propanoylpiperazin-1-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 46324313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).