[2-[[(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)amino]methyl]phenyl]methanol

C19H22N8O — CID 22220144

IUPAC[2-[[(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)amino]methyl]phenyl]methanol
SMILESCCCn1c(-n2cccn2)nc2c(N)nc(NCc3ccccc3CO)nc21
InChIInChI=1S/C19H22N8O/c1-2-9-26-17-15(23-19(26)27-10-5-8-22-27)16(20)24-18(25-17)21-11-13-6-3-4-7-14(13)12-28/h3-8,10,28H,2,9,11-12H2,1H3,(H3,20,21,24,25)
InChIKeyFZDURCQBNDRSHG-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.11
Rot. Bonds7

About [2-[[(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)amino]methyl]phenyl]methanol

[2-[[(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)amino]methyl]phenyl]methanol (PubChem CID 22220144) has the molecular formula C19H22N8O and a molecular weight of 378.44 g/mol. Its IUPAC name is [2-[[(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[[(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)amino]methyl]phenyl]methanol
PubChem CID22220144
Molecular FormulaC19H22N8O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC Name[2-[[(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)amino]methyl]phenyl]methanol
SMILESCCCn1c(-n2cccn2)nc2c(N)nc(NCc3ccccc3CO)nc21
InChIInChI=1S/C19H22N8O/c1-2-9-26-17-15(23-19(26)27-10-5-8-22-27)16(20)24-18(25-17)21-11-13-6-3-4-7-14(13)12-28/h3-8,10,28H,2,9,11-12H2,1H3,(H3,20,21,24,25)
InChIKeyFZDURCQBNDRSHG-UHFFFAOYSA-N
XLogP2.11
TPSA119.70 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [2-[[(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)amino]methyl]phenyl]methanol?
The IUPAC name of [2-[[(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)amino]methyl]phenyl]methanol (CID 22220144) is [2-[[(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [2-[[(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)amino]methyl]phenyl]methanol?
The canonical SMILES for [2-[[(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)amino]methyl]phenyl]methanol is CCCn1c(-n2cccn2)nc2c(N)nc(NCc3ccccc3CO)nc21.
What is the InChIKey of [2-[[(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)amino]methyl]phenyl]methanol?
The InChIKey is FZDURCQBNDRSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O/c1-2-9-26-17-15(23-19(26)27-10-5-8-22-27)16(20)24-18(25-17)21-11-13-6-3-4-7-14(13)12-28/h3-8,10,28H,2,9,11-12H2,1H3,(H3,20,21,24,25).
What are the key properties of [2-[[(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)amino]methyl]phenyl]methanol?
[2-[[(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)amino]methyl]phenyl]methanol has a molecular weight of 378.44 g/mol, XLogP of 2.11, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 22220144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).