2-[[8-(2-methyl-3-phenylanilino)imidazo[1,5-a]pyrimidin-3-yl]methylamino]ethanol

C22H23N5O — CID 146339448

IUPAC2-[[8-(2-methyl-3-phenylanilino)imidazo[1,5-a]pyrimidin-3-yl]methylamino]ethanol
SMILESCc1c(Nc2ncn3cc(CNCCO)cnc23)cccc1-c1ccccc1
InChIInChI=1S/C22H23N5O/c1-16-19(18-6-3-2-4-7-18)8-5-9-20(16)26-21-22-24-13-17(12-23-10-11-28)14-27(22)15-25-21/h2-9,13-15,23,26,28H,10-12H2,1H3
InChIKeyLROYUZCLWJWARK-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.53
Rot. Bonds7

About 2-[[8-(2-methyl-3-phenylanilino)imidazo[1,5-a]pyrimidin-3-yl]methylamino]ethanol

2-[[8-(2-methyl-3-phenylanilino)imidazo[1,5-a]pyrimidin-3-yl]methylamino]ethanol (PubChem CID 146339448) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[[8-(2-methyl-3-phenylanilino)imidazo[1,5-a]pyrimidin-3-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[8-(2-methyl-3-phenylanilino)imidazo[1,5-a]pyrimidin-3-yl]methylamino]ethanol
PubChem CID146339448
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name2-[[8-(2-methyl-3-phenylanilino)imidazo[1,5-a]pyrimidin-3-yl]methylamino]ethanol
SMILESCc1c(Nc2ncn3cc(CNCCO)cnc23)cccc1-c1ccccc1
InChIInChI=1S/C22H23N5O/c1-16-19(18-6-3-2-4-7-18)8-5-9-20(16)26-21-22-24-13-17(12-23-10-11-28)14-27(22)15-25-21/h2-9,13-15,23,26,28H,10-12H2,1H3
InChIKeyLROYUZCLWJWARK-UHFFFAOYSA-N
XLogP3.53
TPSA74.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[8-(2-methyl-3-phenylanilino)imidazo[1,5-a]pyrimidin-3-yl]methylamino]ethanol?
The IUPAC name of 2-[[8-(2-methyl-3-phenylanilino)imidazo[1,5-a]pyrimidin-3-yl]methylamino]ethanol (CID 146339448) is 2-[[8-(2-methyl-3-phenylanilino)imidazo[1,5-a]pyrimidin-3-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[8-(2-methyl-3-phenylanilino)imidazo[1,5-a]pyrimidin-3-yl]methylamino]ethanol?
The canonical SMILES for 2-[[8-(2-methyl-3-phenylanilino)imidazo[1,5-a]pyrimidin-3-yl]methylamino]ethanol is Cc1c(Nc2ncn3cc(CNCCO)cnc23)cccc1-c1ccccc1.
What is the InChIKey of 2-[[8-(2-methyl-3-phenylanilino)imidazo[1,5-a]pyrimidin-3-yl]methylamino]ethanol?
The InChIKey is LROYUZCLWJWARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-16-19(18-6-3-2-4-7-18)8-5-9-20(16)26-21-22-24-13-17(12-23-10-11-28)14-27(22)15-25-21/h2-9,13-15,23,26,28H,10-12H2,1H3.
What are the key properties of 2-[[8-(2-methyl-3-phenylanilino)imidazo[1,5-a]pyrimidin-3-yl]methylamino]ethanol?
2-[[8-(2-methyl-3-phenylanilino)imidazo[1,5-a]pyrimidin-3-yl]methylamino]ethanol has a molecular weight of 373.46 g/mol, XLogP of 3.53, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-(2-methyl-3-phenylanilino)imidazo[1,5-a]pyrimidin-3-yl]methylamino]ethanol is sourced from PubChem (CID 146339448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).