1-[4-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone

C17H21N5O2 — CID 70671461

IUPAC1-[4-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(N)nc(C)c2-c2cccc(O)c2)CC1
InChIInChI=1S/C17H21N5O2/c1-11-15(13-4-3-5-14(24)10-13)16(20-17(18)19-11)22-8-6-21(7-9-22)12(2)23/h3-5,10,24H,6-9H2,1-2H3,(H2,18,19,20)
InChIKeyHKZGFPHUANEBHE-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.41
Rot. Bonds2

About 1-[4-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone

1-[4-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 70671461) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-[4-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID70671461
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-[4-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(N)nc(C)c2-c2cccc(O)c2)CC1
InChIInChI=1S/C17H21N5O2/c1-11-15(13-4-3-5-14(24)10-13)16(20-17(18)19-11)22-8-6-21(7-9-22)12(2)23/h3-5,10,24H,6-9H2,1-2H3,(H2,18,19,20)
InChIKeyHKZGFPHUANEBHE-UHFFFAOYSA-N
XLogP1.41
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone (CID 70671461) is 1-[4-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc(N)nc(C)c2-c2cccc(O)c2)CC1.
What is the InChIKey of 1-[4-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is HKZGFPHUANEBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-11-15(13-4-3-5-14(24)10-13)16(20-17(18)19-11)22-8-6-21(7-9-22)12(2)23/h3-5,10,24H,6-9H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[4-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone?
1-[4-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 327.39 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 70671461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).