6-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione

C19H25N5O3 — CID 53107462

IUPAC6-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN(C)c1ccc(C(=O)N2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)cc1
InChIInChI=1S/C19H25N5O3/c1-20(2)15-7-5-14(6-8-15)18(26)24-11-9-23(10-12-24)16-13-17(25)22(4)19(27)21(16)3/h5-8,13H,9-12H2,1-4H3
InChIKeyMIHSBQOXEADGIP-UHFFFAOYSA-N
MW371.44 g/mol
LogP0.11
Rot. Bonds3

About 6-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione

6-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 53107462) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 6-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID53107462
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name6-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN(C)c1ccc(C(=O)N2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)cc1
InChIInChI=1S/C19H25N5O3/c1-20(2)15-7-5-14(6-8-15)18(26)24-11-9-23(10-12-24)16-13-17(25)22(4)19(27)21(16)3/h5-8,13H,9-12H2,1-4H3
InChIKeyMIHSBQOXEADGIP-UHFFFAOYSA-N
XLogP0.11
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dimethyl-6-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione
CID 53107470
[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32770513
4-[4-(dimethylamino)benzoyl]-1-methylpiperazin-2-one
CID 110741167
ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate
CID 35508651
[4-(dimethylamino)phenyl]-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110814773
1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110666244
[4-(dimethylamino)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574396
[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 113078761
[4-(dimethylamino)phenyl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
CID 110744372
[4-(2-aminoethyl)-1,4-diazepan-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 43251681
5-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione
CID 46324246
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 9277342

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione (CID 53107462) is 6-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione is CN(C)c1ccc(C(=O)N2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)cc1.
What is the InChIKey of 6-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is MIHSBQOXEADGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-20(2)15-7-5-14(6-8-15)18(26)24-11-9-23(10-12-24)16-13-17(25)22(4)19(27)21(16)3/h5-8,13H,9-12H2,1-4H3.
What are the key properties of 6-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
6-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 371.44 g/mol, XLogP of 0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 53107462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).