1-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethylpyrimidine-2,4-dione

C27H34N4O3 — CID 67596550

IUPAC1-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethylpyrimidine-2,4-dione
SMILESCOc1ccccc1N1CCN(CCCn2c(=O)c(C)c(C)n(Cc3ccccc3)c2=O)CC1
InChIInChI=1S/C27H34N4O3/c1-21-22(2)31(20-23-10-5-4-6-11-23)27(33)30(26(21)32)15-9-14-28-16-18-29(19-17-28)24-12-7-8-13-25(24)34-3/h4-8,10-13H,9,14-20H2,1-3H3
InChIKeyRGCOGSHLANHYOO-UHFFFAOYSA-N
MW462.59 g/mol
LogP2.90
Rot. Bonds8

About 1-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethylpyrimidine-2,4-dione

1-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethylpyrimidine-2,4-dione (PubChem CID 67596550) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is 1-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethylpyrimidine-2,4-dione
PubChem CID67596550
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC Name1-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethylpyrimidine-2,4-dione
SMILESCOc1ccccc1N1CCN(CCCn2c(=O)c(C)c(C)n(Cc3ccccc3)c2=O)CC1
InChIInChI=1S/C27H34N4O3/c1-21-22(2)31(20-23-10-5-4-6-11-23)27(33)30(26(21)32)15-9-14-28-16-18-29(19-17-28)24-12-7-8-13-25(24)34-3/h4-8,10-13H,9,14-20H2,1-3H3
InChIKeyRGCOGSHLANHYOO-UHFFFAOYSA-N
XLogP2.90
TPSA59.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-benzyl-5,6-dimethyl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride
CID 70202757
1-benzyl-5-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride
CID 70198103
1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine
CID 127033889
1,3-dibenzyl-5,6-dimethylpyrimidine-2,4-dione
CID 11975773
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11575967
2-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]phthalazine-1,4-dione
CID 110184124
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
but-2-enedioic acid;3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-methyl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione
CID 70202405
1-benzyl-5-ethyl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]pyrimidine-2,4-dione
CID 70201571
1-(5-hydroxypentyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione
CID 13387790
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520269
4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 586071

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethylpyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethylpyrimidine-2,4-dione (CID 67596550) is 1-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethylpyrimidine-2,4-dione is COc1ccccc1N1CCN(CCCn2c(=O)c(C)c(C)n(Cc3ccccc3)c2=O)CC1.
What is the InChIKey of 1-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethylpyrimidine-2,4-dione?
The InChIKey is RGCOGSHLANHYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-21-22(2)31(20-23-10-5-4-6-11-23)27(33)30(26(21)32)15-9-14-28-16-18-29(19-17-28)24-12-7-8-13-25(24)34-3/h4-8,10-13H,9,14-20H2,1-3H3.
What are the key properties of 1-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethylpyrimidine-2,4-dione?
1-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethylpyrimidine-2,4-dione has a molecular weight of 462.59 g/mol, XLogP of 2.90, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 67596550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).