(4-hydroxyphenyl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone

C16H18N4O2 — CID 84588350

IUPAC(4-hydroxyphenyl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nccc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1
InChIInChI=1S/C16H18N4O2/c1-12-17-7-6-15(18-12)19-8-10-20(11-9-19)16(22)13-2-4-14(21)5-3-13/h2-7,21H,8-11H2,1H3
InChIKeyGDIQSZGTNPWQIW-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.45
Rot. Bonds2

About (4-hydroxyphenyl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone

(4-hydroxyphenyl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 84588350) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is (4-hydroxyphenyl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID84588350
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name(4-hydroxyphenyl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nccc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1
InChIInChI=1S/C16H18N4O2/c1-12-17-7-6-15(18-12)19-8-10-20(11-9-19)16(22)13-2-4-14(21)5-3-13/h2-7,21H,8-11H2,1H3
InChIKeyGDIQSZGTNPWQIW-UHFFFAOYSA-N
XLogP1.45
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 171130326
(1-ethylimidazol-2-yl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 136538523
N-cyclopent-3-en-1-yl-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 86791348
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971599
1-(2-methylpyrimidin-4-yl)azepane
CID 126972484
(4-ethoxyphenyl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 70703575
[4-(5-methylpyrazol-1-yl)phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537558
[(2S,3S)-2-ethyloxan-3-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 129479414
1-(2-methylpyrimidin-4-yl)piperidin-4-one
CID 62785662
(4-methylphenyl)-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone
CID 172882737
(4-iodophenyl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350540
(4-chlorophenyl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350169

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-hydroxyphenyl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 84588350) is (4-hydroxyphenyl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-hydroxyphenyl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-hydroxyphenyl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1nccc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1.
What is the InChIKey of (4-hydroxyphenyl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is GDIQSZGTNPWQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-12-17-7-6-15(18-12)19-8-10-20(11-9-19)16(22)13-2-4-14(21)5-3-13/h2-7,21H,8-11H2,1H3.
What are the key properties of (4-hydroxyphenyl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
(4-hydroxyphenyl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 298.35 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 84588350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).