4-[6-amino-8-(3-pyrimidin-5-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol

C22H20N6O — CID 71032880

IUPAC4-[6-amino-8-(3-pyrimidin-5-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol
SMILESNC1=NC(c2ccc(O)cc2)(c2cccc(-c3cncnc3)c2)C2=NCCCN12
InChIInChI=1S/C22H20N6O/c23-21-27-22(17-5-7-19(29)8-6-17,20-26-9-2-10-28(20)21)18-4-1-3-15(11-18)16-12-24-14-25-13-16/h1,3-8,11-14,29H,2,9-10H2,(H2,23,27)
InChIKeyANJRAVHAXOJPPK-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.53
Rot. Bonds3

About 4-[6-amino-8-(3-pyrimidin-5-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol

4-[6-amino-8-(3-pyrimidin-5-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol (PubChem CID 71032880) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[6-amino-8-(3-pyrimidin-5-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol.

Molecular Properties

Compound Name4-[6-amino-8-(3-pyrimidin-5-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol
PubChem CID71032880
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name4-[6-amino-8-(3-pyrimidin-5-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol
SMILESNC1=NC(c2ccc(O)cc2)(c2cccc(-c3cncnc3)c2)C2=NCCCN12
InChIInChI=1S/C22H20N6O/c23-21-27-22(17-5-7-19(29)8-6-17,20-26-9-2-10-28(20)21)18-4-1-3-15(11-18)16-12-24-14-25-13-16/h1,3-8,11-14,29H,2,9-10H2,(H2,23,27)
InChIKeyANJRAVHAXOJPPK-UHFFFAOYSA-N
XLogP2.53
TPSA99.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-8-(3-pyrimidin-5-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol?
The IUPAC name of 4-[6-amino-8-(3-pyrimidin-5-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol (CID 71032880) is 4-[6-amino-8-(3-pyrimidin-5-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol.
What is the SMILES notation for 4-[6-amino-8-(3-pyrimidin-5-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol?
The canonical SMILES for 4-[6-amino-8-(3-pyrimidin-5-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol is NC1=NC(c2ccc(O)cc2)(c2cccc(-c3cncnc3)c2)C2=NCCCN12.
What is the InChIKey of 4-[6-amino-8-(3-pyrimidin-5-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol?
The InChIKey is ANJRAVHAXOJPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c23-21-27-22(17-5-7-19(29)8-6-17,20-26-9-2-10-28(20)21)18-4-1-3-15(11-18)16-12-24-14-25-13-16/h1,3-8,11-14,29H,2,9-10H2,(H2,23,27).
What are the key properties of 4-[6-amino-8-(3-pyrimidin-5-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol?
4-[6-amino-8-(3-pyrimidin-5-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol has a molecular weight of 384.44 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-8-(3-pyrimidin-5-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol is sourced from PubChem (CID 71032880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).