3-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methyl-1H-pyrimidine-2,4-dione

C18H24N4O3 — CID 71034112

IUPAC3-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c[nH]c(=O)n(CCCN2CCN(c3ccccc3O)CC2)c1=O
InChIInChI=1S/C18H24N4O3/c1-14-13-19-18(25)22(17(14)24)8-4-7-20-9-11-21(12-10-20)15-5-2-3-6-16(15)23/h2-3,5-6,13,23H,4,7-12H2,1H3,(H,19,25)
InChIKeyOMXODONWIFOLNU-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.76
Rot. Bonds5

About 3-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methyl-1H-pyrimidine-2,4-dione

3-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methyl-1H-pyrimidine-2,4-dione (PubChem CID 71034112) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methyl-1H-pyrimidine-2,4-dione
PubChem CID71034112
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name3-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c[nH]c(=O)n(CCCN2CCN(c3ccccc3O)CC2)c1=O
InChIInChI=1S/C18H24N4O3/c1-14-13-19-18(25)22(17(14)24)8-4-7-20-9-11-21(12-10-20)15-5-2-3-6-16(15)23/h2-3,5-6,13,23H,4,7-12H2,1H3,(H,19,25)
InChIKeyOMXODONWIFOLNU-UHFFFAOYSA-N
XLogP0.76
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-3-[3-[4-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione
CID 70202161
5-ethyl-3-[3-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione
CID 70198309
2-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazin-1-yl]phenol
CID 122157490
2-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11710431
2-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-methylbenzene-1,3-dicarboxylic acid
CID 150681071
1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-3-methylquinoxalin-2-one
CID 139617049
3-[2-[4-(2-hydroxy-3-methylphenyl)piperazin-1-yl]ethyl]-1H-benzimidazol-2-one
CID 58882201
methyl 1-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]indole-3-carboxylate
CID 69444934
(E)-but-2-enedioic acid;3-[2,2-dimethyl-3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-5-methyl-1H-pyrimidine-2,4-dione
CID 70198261
3,7-dimethyl-1-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]purine-2,6-dione
CID 15571867
1-[3-[4-(3-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-3-methylpyrrole-2,5-diol
CID 90973410
5-(1-pyridin-3-ylethyl)-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione
CID 70201917

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methyl-1H-pyrimidine-2,4-dione (CID 71034112) is 3-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methyl-1H-pyrimidine-2,4-dione is Cc1c[nH]c(=O)n(CCCN2CCN(c3ccccc3O)CC2)c1=O.
What is the InChIKey of 3-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is OMXODONWIFOLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-14-13-19-18(25)22(17(14)24)8-4-7-20-9-11-21(12-10-20)15-5-2-3-6-16(15)23/h2-3,5-6,13,23H,4,7-12H2,1H3,(H,19,25).
What are the key properties of 3-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methyl-1H-pyrimidine-2,4-dione?
3-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 344.42 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 71034112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).