2-[4-[6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanol

C28H29N5O2 — CID 3612804

IUPAC2-[4-[6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCOc1ccc(-c2cncc(-c3cc(N4CCN(CCO)CC4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C28H29N5O2/c1-35-25-9-7-21(8-10-25)23-17-24(20-29-19-23)26-18-27(33-13-11-32(12-14-33)15-16-34)31-28(30-26)22-5-3-2-4-6-22/h2-10,17-20,34H,11-16H2,1H3
InChIKeyWIMUGIODKBMWKI-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.00
Rot. Bonds7

About 2-[4-[6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanol

2-[4-[6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 3612804) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-[4-[6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanol
PubChem CID3612804
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC Name2-[4-[6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCOc1ccc(-c2cncc(-c3cc(N4CCN(CCO)CC4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C28H29N5O2/c1-35-25-9-7-21(8-10-25)23-17-24(20-29-19-23)26-18-27(33-13-11-32(12-14-33)15-16-34)31-28(30-26)22-5-3-2-4-6-22/h2-10,17-20,34H,11-16H2,1H3
InChIKeyWIMUGIODKBMWKI-UHFFFAOYSA-N
XLogP4.00
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanol (CID 3612804) is 2-[4-[6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanol is COc1ccc(-c2cncc(-c3cc(N4CCN(CCO)CC4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 2-[4-[6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is WIMUGIODKBMWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-35-25-9-7-21(8-10-25)23-17-24(20-29-19-23)26-18-27(33-13-11-32(12-14-33)15-16-34)31-28(30-26)22-5-3-2-4-6-22/h2-10,17-20,34H,11-16H2,1H3.
What are the key properties of 2-[4-[6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 467.57 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 3612804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).