3-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione

C16H20N4O2 — CID 90489792

IUPAC3-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
SMILESCc1cccc(-n2c(=O)cc(N3CCN(C)CC3)[nH]c2=O)c1
InChIInChI=1S/C16H20N4O2/c1-12-4-3-5-13(10-12)20-15(21)11-14(17-16(20)22)19-8-6-18(2)7-9-19/h3-5,10-11H,6-9H2,1-2H3,(H,17,22)
InChIKeyZETULYRVVFGBRM-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.59
Rot. Bonds2

About 3-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione

3-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione (PubChem CID 90489792) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
PubChem CID90489792
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
SMILESCc1cccc(-n2c(=O)cc(N3CCN(C)CC3)[nH]c2=O)c1
InChIInChI=1S/C16H20N4O2/c1-12-4-3-5-13(10-12)20-15(21)11-14(17-16(20)22)19-8-6-18(2)7-9-19/h3-5,10-11H,6-9H2,1-2H3,(H,17,22)
InChIKeyZETULYRVVFGBRM-UHFFFAOYSA-N
XLogP0.59
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione
CID 90489789
1-methyl-4-(3-methylphenyl)-1,4-diazepane
CID 118420862
3-(3-methylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82472009
6-hydroxy-1-(3-methylphenyl)-5-[(4-methylpiperazin-1-yl)iminomethyl]-2-sulfanylidenepyrimidin-4-one
CID 1397512
1-(3-methylphenyl)-3-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110574057
3-(3-methylphenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 115931444
5-amino-3-(3-methylphenyl)-1H-benzimidazol-2-one
CID 110491624
3-cyclohexyl-6-[4-(3-fluorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione
CID 45382276
5-fluoro-3-(3-methylphenyl)-1H-quinazoline-2,4-dione
CID 4093447
[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 109116337
[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109366897
2-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 112777687

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione (CID 90489792) is 3-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione is Cc1cccc(-n2c(=O)cc(N3CCN(C)CC3)[nH]c2=O)c1.
What is the InChIKey of 3-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is ZETULYRVVFGBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-4-3-5-13(10-12)20-15(21)11-14(17-16(20)22)19-8-6-18(2)7-9-19/h3-5,10-11H,6-9H2,1-2H3,(H,17,22).
What are the key properties of 3-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
3-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 300.36 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 90489792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).