(2R)-2-hydroxy-1-[4-[6-(2-hydroxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-4-methylpentan-1-one

C20H26N4O3 — CID 135547516

IUPAC(2R)-2-hydroxy-1-[4-[6-(2-hydroxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-4-methylpentan-1-one
SMILESCC(C)C[C@@H](O)C(=O)N1CCN(c2cc(-c3ccccc3O)ncn2)CC1
InChIInChI=1S/C20H26N4O3/c1-14(2)11-18(26)20(27)24-9-7-23(8-10-24)19-12-16(21-13-22-19)15-5-3-4-6-17(15)25/h3-6,12-14,18,25-26H,7-11H2,1-2H3/t18-/m1/s1
InChIKeyWQSWDRFAPMOHLC-GOSISDBHSA-N
MW370.45 g/mol
LogP1.90
Rot. Bonds5

About (2R)-2-hydroxy-1-[4-[6-(2-hydroxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-4-methylpentan-1-one

(2R)-2-hydroxy-1-[4-[6-(2-hydroxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-4-methylpentan-1-one (PubChem CID 135547516) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is (2R)-2-hydroxy-1-[4-[6-(2-hydroxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-4-methylpentan-1-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-1-[4-[6-(2-hydroxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-4-methylpentan-1-one
PubChem CID135547516
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name(2R)-2-hydroxy-1-[4-[6-(2-hydroxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-4-methylpentan-1-one
SMILESCC(C)C[C@@H](O)C(=O)N1CCN(c2cc(-c3ccccc3O)ncn2)CC1
InChIInChI=1S/C20H26N4O3/c1-14(2)11-18(26)20(27)24-9-7-23(8-10-24)19-12-16(21-13-22-19)15-5-3-4-6-17(15)25/h3-6,12-14,18,25-26H,7-11H2,1-2H3/t18-/m1/s1
InChIKeyWQSWDRFAPMOHLC-GOSISDBHSA-N
XLogP1.90
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-2-hydroxy-1-[4-[6-(2-hydroxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-4-methylpentan-1-one with MolForge

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Related Compounds

1-[4-[6-(2-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one
CID 68680225
2-[4-methyl-1-oxo-1-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pentan-2-yl]isoindole-1,3-dione
CID 108759645
(2R)-2-hydroxy-1-[4-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one;molecular hydrogen
CID 160603801
(2S)-2-amino-4-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-one
CID 22691110
1-[4-[6-(3-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-phenylbutan-1-one
CID 50841058
1-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-phenylbutan-1-one
CID 122343368
(2R)-2-phenoxy-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 93477996
(2-fluorophenyl)-[4-[6-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 50840875
3-chloro-2,2-dimethyl-1-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 108759625
2-ethyl-1-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one
CID 90516855
1-[4-[6-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-2-phenoxypropan-1-one
CID 50840897
1-[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-2-ethylbutan-1-one
CID 121106877

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-1-[4-[6-(2-hydroxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-4-methylpentan-1-one?
The IUPAC name of (2R)-2-hydroxy-1-[4-[6-(2-hydroxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-4-methylpentan-1-one (CID 135547516) is (2R)-2-hydroxy-1-[4-[6-(2-hydroxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-4-methylpentan-1-one.
What is the SMILES notation for (2R)-2-hydroxy-1-[4-[6-(2-hydroxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-4-methylpentan-1-one?
The canonical SMILES for (2R)-2-hydroxy-1-[4-[6-(2-hydroxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-4-methylpentan-1-one is CC(C)C[C@@H](O)C(=O)N1CCN(c2cc(-c3ccccc3O)ncn2)CC1.
What is the InChIKey of (2R)-2-hydroxy-1-[4-[6-(2-hydroxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-4-methylpentan-1-one?
The InChIKey is WQSWDRFAPMOHLC-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14(2)11-18(26)20(27)24-9-7-23(8-10-24)19-12-16(21-13-22-19)15-5-3-4-6-17(15)25/h3-6,12-14,18,25-26H,7-11H2,1-2H3/t18-/m1/s1.
What are the key properties of (2R)-2-hydroxy-1-[4-[6-(2-hydroxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-4-methylpentan-1-one?
(2R)-2-hydroxy-1-[4-[6-(2-hydroxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-4-methylpentan-1-one has a molecular weight of 370.45 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-1-[4-[6-(2-hydroxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-4-methylpentan-1-one is sourced from PubChem (CID 135547516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).