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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(4-Fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propane-1,3-diol
CID 9931156
6-Ethyl-5-{3-[2-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149549
6-Ethyl-5-{3-[3-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149550
6-Ethyl-5-[3-(3-methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]pyrimidine-2,4-diamine
CID 71525312
5-[3-(3-Methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]-6-methylpyrimidine-2,4-diamine
CID 71560291
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
4-[4-(4-Methoxyphenyl)piperazin-1-Yl]-2-(Pyridin-2-Yl)quinazoline
CID 58279815
[5-[2-imidazol-1-yl-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol
CID 24998178
6-Ethyl-5-[3-(2-methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]pyrimidine-2,4-diamine
CID 118753247
6-Ethyl-5-[3-[2-methoxy-5-(1-oxidopyridin-1-ium-4-yl)phenyl]but-1-ynyl]pyrimidine-2,4-diamine
CID 118753249
6-Ethyl-5-{(3r)-3-[3-Methoxy-5-(Pyridin-4-Yl)phenyl]but-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 56955942
6-(2-Methoxyphenyl)-N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]pyrimidine-2,4-Diamine
CID 124220260

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).