[3-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)phenyl]methanol

C19H16N4O — CID 121335722

IUPAC[3-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)phenyl]methanol
SMILESOCc1cccc(Nc2ccc(-c3cn4cccnc4n3)cc2)c1
InChIInChI=1S/C19H16N4O/c24-13-14-3-1-4-17(11-14)21-16-7-5-15(6-8-16)18-12-23-10-2-9-20-19(23)22-18/h1-12,21,24H,13H2
InChIKeyTVRGZMMZYHJKIO-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.63
Rot. Bonds4

About [3-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)phenyl]methanol

[3-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)phenyl]methanol (PubChem CID 121335722) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is [3-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)phenyl]methanol.

Molecular Properties

Compound Name[3-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)phenyl]methanol
PubChem CID121335722
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name[3-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)phenyl]methanol
SMILESOCc1cccc(Nc2ccc(-c3cn4cccnc4n3)cc2)c1
InChIInChI=1S/C19H16N4O/c24-13-14-3-1-4-17(11-14)21-16-7-5-15(6-8-16)18-12-23-10-2-9-20-19(23)22-18/h1-12,21,24H,13H2
InChIKeyTVRGZMMZYHJKIO-UHFFFAOYSA-N
XLogP3.63
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,5-dimethylaniline
CID 121335716
1-(3-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide
CID 122285748
2-[(4-imidazo[1,2-a]pyrimidin-2-ylanilino)methylidene]propanedinitrile
CID 168545526
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-naphthalen-1-ylacetamide
CID 122285628
2-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)ethene-1,1,2-tricarbonitrile
CID 168610794
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-(3-methylphenyl)acetamide
CID 7080185
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-propylpentanamide
CID 20868684
4-ethyl-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 121033065
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-morpholin-4-ylacetamide
CID 75499509
1-(3,4-difluorophenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
CID 122285057
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55825252
2-(3-bromophenyl)imidazo[1,2-a]pyrimidine
CID 14913301

Frequently Asked Questions

What is the IUPAC name of [3-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)phenyl]methanol?
The IUPAC name of [3-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)phenyl]methanol (CID 121335722) is [3-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)phenyl]methanol.
What is the SMILES notation for [3-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)phenyl]methanol?
The canonical SMILES for [3-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)phenyl]methanol is OCc1cccc(Nc2ccc(-c3cn4cccnc4n3)cc2)c1.
What is the InChIKey of [3-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)phenyl]methanol?
The InChIKey is TVRGZMMZYHJKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c24-13-14-3-1-4-17(11-14)21-16-7-5-15(6-8-16)18-12-23-10-2-9-20-19(23)22-18/h1-12,21,24H,13H2.
What are the key properties of [3-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)phenyl]methanol?
[3-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)phenyl]methanol has a molecular weight of 316.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)phenyl]methanol is sourced from PubChem (CID 121335722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).