2-[7-amino-6-(1H-imidazol-5-yl)imidazo[1,2-a]pyrimidin-2-yl]phenolate

C15H11N6O- — CID 168901790

IUPAC2-[7-amino-6-(1H-imidazol-5-yl)imidazo[1,2-a]pyrimidin-2-yl]phenolate
SMILESNc1nc2nc(-c3ccccc3[O-])cn2cc1-c1cnc[nH]1
InChIInChI=1S/C15H12N6O/c16-14-10(11-5-17-8-18-11)6-21-7-12(19-15(21)20-14)9-3-1-2-4-13(9)22/h1-8,22H,(H,17,18)(H2,16,19,20)/p-1
InChIKeyOAZCKDFPSKJEQV-UHFFFAOYSA-M
MW291.29 g/mol
LogP1.44
Rot. Bonds2

About 2-[7-amino-6-(1H-imidazol-5-yl)imidazo[1,2-a]pyrimidin-2-yl]phenolate

2-[7-amino-6-(1H-imidazol-5-yl)imidazo[1,2-a]pyrimidin-2-yl]phenolate (PubChem CID 168901790) has the molecular formula C15H11N6O- and a molecular weight of 291.29 g/mol. Its IUPAC name is 2-[7-amino-6-(1H-imidazol-5-yl)imidazo[1,2-a]pyrimidin-2-yl]phenolate.

Molecular Properties

Compound Name2-[7-amino-6-(1H-imidazol-5-yl)imidazo[1,2-a]pyrimidin-2-yl]phenolate
PubChem CID168901790
Molecular FormulaC15H11N6O-
Molecular Weight291.29 g/mol
Exact Mass291.10
IUPAC Name2-[7-amino-6-(1H-imidazol-5-yl)imidazo[1,2-a]pyrimidin-2-yl]phenolate
SMILESNc1nc2nc(-c3ccccc3[O-])cn2cc1-c1cnc[nH]1
InChIInChI=1S/C15H12N6O/c16-14-10(11-5-17-8-18-11)6-21-7-12(19-15(21)20-14)9-3-1-2-4-13(9)22/h1-8,22H,(H,17,18)(H2,16,19,20)/p-1
InChIKeyOAZCKDFPSKJEQV-UHFFFAOYSA-M
XLogP1.44
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-{5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol
CID 135433406
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 28
CID 135434952
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 31
CID 6538791
6-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538766
6-(3-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538768
3-{5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol
CID 6538769
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 11
CID 135434951
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 33
CID 135434953
2-{3-[(2,6-Dimethylphenyl)amino]imidazo[1,2-a]pyrimidin-2-yl}phenol
CID 15990343
(2-(2-Methoxyphenyl)-7-methyl-5-phenylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11638762
7-(3-methoxyphenyl)-N,1-dimethyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-4-amine
CID 45272329
3-[(2-Methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine
CID 126720389

Frequently Asked Questions

What is the IUPAC name of 2-[7-amino-6-(1H-imidazol-5-yl)imidazo[1,2-a]pyrimidin-2-yl]phenolate?
The IUPAC name of 2-[7-amino-6-(1H-imidazol-5-yl)imidazo[1,2-a]pyrimidin-2-yl]phenolate (CID 168901790) is 2-[7-amino-6-(1H-imidazol-5-yl)imidazo[1,2-a]pyrimidin-2-yl]phenolate.
What is the SMILES notation for 2-[7-amino-6-(1H-imidazol-5-yl)imidazo[1,2-a]pyrimidin-2-yl]phenolate?
The canonical SMILES for 2-[7-amino-6-(1H-imidazol-5-yl)imidazo[1,2-a]pyrimidin-2-yl]phenolate is Nc1nc2nc(-c3ccccc3[O-])cn2cc1-c1cnc[nH]1.
What is the InChIKey of 2-[7-amino-6-(1H-imidazol-5-yl)imidazo[1,2-a]pyrimidin-2-yl]phenolate?
The InChIKey is OAZCKDFPSKJEQV-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H12N6O/c16-14-10(11-5-17-8-18-11)6-21-7-12(19-15(21)20-14)9-3-1-2-4-13(9)22/h1-8,22H,(H,17,18)(H2,16,19,20)/p-1.
What are the key properties of 2-[7-amino-6-(1H-imidazol-5-yl)imidazo[1,2-a]pyrimidin-2-yl]phenolate?
2-[7-amino-6-(1H-imidazol-5-yl)imidazo[1,2-a]pyrimidin-2-yl]phenolate has a molecular weight of 291.29 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-amino-6-(1H-imidazol-5-yl)imidazo[1,2-a]pyrimidin-2-yl]phenolate is sourced from PubChem (CID 168901790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).