6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

C18H24N4O3 — CID 18129465

IUPAC6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1ccc(N2CCN(Cc3cc(=O)n(C)c(=O)n3C)CC2)cc1
InChIInChI=1S/C18H24N4O3/c1-19-15(12-17(23)20(2)18(19)24)13-21-8-10-22(11-9-21)14-4-6-16(25-3)7-5-14/h4-7,12H,8-11,13H2,1-3H3
InChIKeyDKRDMHYGQFLLIB-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.41
Rot. Bonds4

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

6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 18129465) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID18129465
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1ccc(N2CCN(Cc3cc(=O)n(C)c(=O)n3C)CC2)cc1
InChIInChI=1S/C18H24N4O3/c1-19-15(12-17(23)20(2)18(19)24)13-21-8-10-22(11-9-21)14-4-6-16(25-3)7-5-14/h4-7,12H,8-11,13H2,1-3H3
InChIKeyDKRDMHYGQFLLIB-UHFFFAOYSA-N
XLogP0.41
TPSA59.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-6-[(4-propylpiperazin-1-yl)methyl]pyrimidine-2,4-dione
CID 71900504
1,3-dimethyl-6-[[4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine-2,4-dione
CID 18129466
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846
1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine
CID 1439447
[5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-3-yl]-phenylmethanone
CID 3753267
6-[[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 16580714
1-[(4-methoxyphenyl)methyl]-4-(4-nitrophenyl)piperazine
CID 2837933
6-methoxy-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]chromen-2-one
CID 6485174
7-benzyl-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione
CID 3499276
1-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine
CID 3717638
7-methoxy-1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]naphthalen-2-ol
CID 2672032
1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-4-carboxamide
CID 46381379

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 18129465) is 6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is COc1ccc(N2CCN(Cc3cc(=O)n(C)c(=O)n3C)CC2)cc1.
What is the InChIKey of 6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is DKRDMHYGQFLLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-19-15(12-17(23)20(2)18(19)24)13-21-8-10-22(11-9-21)14-4-6-16(25-3)7-5-14/h4-7,12H,8-11,13H2,1-3H3.
What are the key properties of 6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 344.42 g/mol, XLogP of 0.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 18129465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).