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

C18H24N4O3 — CID 120753884

IUPAC6-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1ccccc1C1CNCCN1Cc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C18H24N4O3/c1-20-13(10-17(23)21(2)18(20)24)12-22-9-8-19-11-15(22)14-6-4-5-7-16(14)25-3/h4-7,10,15,19H,8-9,11-12H2,1-3H3
InChIKeyIPBOTZBARJCTOX-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.24
Rot. Bonds4

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

6-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 120753884) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 6-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID120753884
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name6-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1ccccc1C1CNCCN1Cc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C18H24N4O3/c1-20-13(10-17(23)21(2)18(20)24)12-22-9-8-19-11-15(22)14-6-4-5-7-16(14)25-3/h4-7,10,15,19H,8-9,11-12H2,1-3H3
InChIKeyIPBOTZBARJCTOX-UHFFFAOYSA-N
XLogP0.24
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[3-[2-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione
CID 18798253
1-(2-methoxyethyl)-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753905
1-[(2,4-difluorophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753939
2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120767431
2-(2-methoxyphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperazine;hydrochloride
CID 120767521
1-[2-(2-methoxyphenoxy)ethyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753829
1-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine
CID 120753405
1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine
CID 120767394
N-[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 120754114
2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 120753391
1-but-3-enyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753931
2-(2-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 110109239

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 120753884) is 6-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is COc1ccccc1C1CNCCN1Cc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 6-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is IPBOTZBARJCTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-20-13(10-17(23)21(2)18(20)24)12-22-9-8-19-11-15(22)14-6-4-5-7-16(14)25-3/h4-7,10,15,19H,8-9,11-12H2,1-3H3.
What are the key properties of 6-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 344.42 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 120753884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).