1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-5-phenylpentane-1,5-dione

C26H28N4O2 — CID 108736956

IUPAC1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-5-phenylpentane-1,5-dione
SMILESCc1nc(-c2ccccc2)cc(N2CCN(C(=O)CCCC(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C26H28N4O2/c1-20-27-23(21-9-4-2-5-10-21)19-25(28-20)29-15-17-30(18-16-29)26(32)14-8-13-24(31)22-11-6-3-7-12-22/h2-7,9-12,19H,8,13-18H2,1H3
InChIKeyNSSPZEQHXBYVNV-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.15
Rot. Bonds7

About 1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-5-phenylpentane-1,5-dione

1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-5-phenylpentane-1,5-dione (PubChem CID 108736956) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-5-phenylpentane-1,5-dione.

Molecular Properties

Compound Name1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-5-phenylpentane-1,5-dione
PubChem CID108736956
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-5-phenylpentane-1,5-dione
SMILESCc1nc(-c2ccccc2)cc(N2CCN(C(=O)CCCC(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C26H28N4O2/c1-20-27-23(21-9-4-2-5-10-21)19-25(28-20)29-15-17-30(18-16-29)26(32)14-8-13-24(31)22-11-6-3-7-12-22/h2-7,9-12,19H,8,13-18H2,1H3
InChIKeyNSSPZEQHXBYVNV-UHFFFAOYSA-N
XLogP4.15
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-6-oxohexyl]isoindole-1,3-dione
CID 108759810
4-(4-tert-butylphenoxy)-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 108759867
1-(5-chloro-2-methoxyphenyl)-4-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]butane-1,4-dione
CID 108736985
2-methyl-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 108736910
(3-chlorophenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108759795
(4-ethoxyphenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108759809
2-(2,5-dichlorophenoxy)-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 108759858
(E)-3-(4-methylphenyl)-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one
CID 108759830
[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 108736867
(E)-3-(4-methoxyphenyl)-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-2-phenylprop-2-en-1-one
CID 108759839
1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone
CID 108736942
1-(2-methyl-6-phenylpyrimidin-4-yl)azepane
CID 16876766

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-5-phenylpentane-1,5-dione?
The IUPAC name of 1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-5-phenylpentane-1,5-dione (CID 108736956) is 1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-5-phenylpentane-1,5-dione.
What is the SMILES notation for 1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-5-phenylpentane-1,5-dione?
The canonical SMILES for 1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-5-phenylpentane-1,5-dione is Cc1nc(-c2ccccc2)cc(N2CCN(C(=O)CCCC(=O)c3ccccc3)CC2)n1.
What is the InChIKey of 1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-5-phenylpentane-1,5-dione?
The InChIKey is NSSPZEQHXBYVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-20-27-23(21-9-4-2-5-10-21)19-25(28-20)29-15-17-30(18-16-29)26(32)14-8-13-24(31)22-11-6-3-7-12-22/h2-7,9-12,19H,8,13-18H2,1H3.
What are the key properties of 1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-5-phenylpentane-1,5-dione?
1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-5-phenylpentane-1,5-dione has a molecular weight of 428.54 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-5-phenylpentane-1,5-dione is sourced from PubChem (CID 108736956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).