6-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione

C19H20N4O2 — CID 155526533

IUPAC6-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCN(Cc3cccc4ccccc34)CC2)[nH]c(=O)[nH]1
InChIInChI=1S/C19H20N4O2/c24-18-12-17(20-19(25)21-18)23-10-8-22(9-11-23)13-15-6-3-5-14-4-1-2-7-16(14)15/h1-7,12H,8-11,13H2,(H2,20,21,24,25)
InChIKeyWKALFVUNIUNKBJ-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.54
Rot. Bonds3

About 6-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione

6-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione (PubChem CID 155526533) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 6-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione
PubChem CID155526533
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name6-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCN(Cc3cccc4ccccc34)CC2)[nH]c(=O)[nH]1
InChIInChI=1S/C19H20N4O2/c24-18-12-17(20-19(25)21-18)23-10-8-22(9-11-23)13-15-6-3-5-14-4-1-2-7-16(14)15/h1-7,12H,8-11,13H2,(H2,20,21,24,25)
InChIKeyWKALFVUNIUNKBJ-UHFFFAOYSA-N
XLogP1.54
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile
CID 141514759
3-cyclohexyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1H-pyrimidine-2,4-dione
CID 3236283
6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
CID 3242015
2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 9046923
4-morpholin-4-yl-2-(naphthalen-1-ylmethylamino)-1H-pyrimidin-6-one
CID 136229137
2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-benzyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile
CID 164615695
6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 23252882
6-(4-benzylpiperazin-1-yl)-3-(4-fluorobenzyl)pyrimidine-2,4(1H,3H)-dione
CID 3242593
6-(4-benzylpiperazin-1-yl)-3-ethyl-1H-pyrimidine-2,4-dione
CID 7080829
1-[N-(2-triphenylmethylaminoethyl)-acetamide] uracil
CID 25266094
1-[N-(3-triphenylmethylaminobutyl)-acetamide] uracil
CID 25266095
1-[N-(triphenylmethylaminoethyl)-N-(aminoethyl) acetamide] uracil
CID 25266436

Frequently Asked Questions

What is the IUPAC name of 6-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione (CID 155526533) is 6-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione is O=c1cc(N2CCN(Cc3cccc4ccccc34)CC2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is WKALFVUNIUNKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-18-12-17(20-19(25)21-18)23-10-8-22(9-11-23)13-15-6-3-5-14-4-1-2-7-16(14)15/h1-7,12H,8-11,13H2,(H2,20,21,24,25).
What are the key properties of 6-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione?
6-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 336.40 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 155526533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).