7-[(2R)-2-hydroxypropyl]-3-methyl-8-[2-(1-phenylbutylidene)hydrazinyl]purine-2,6-dione

C19H24N6O3 — CID 7214260

IUPAC7-[(2R)-2-hydroxypropyl]-3-methyl-8-[2-(1-phenylbutylidene)hydrazinyl]purine-2,6-dione
SMILESCCCC(=NNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](C)O)c1ccccc1
InChIInChI=1S/C19H24N6O3/c1-4-8-14(13-9-6-5-7-10-13)22-23-18-20-16-15(25(18)11-12(2)26)17(27)21-19(28)24(16)3/h5-7,9-10,12,26H,4,8,11H2,1-3H3,(H,20,23)(H,21,27,28)/t12-/m1/s1
InChIKeyLNPUADZWVAYRLT-GFCCVEGCSA-N
MW384.44 g/mol
LogP1.42
Rot. Bonds7

About 7-[(2R)-2-hydroxypropyl]-3-methyl-8-[2-(1-phenylbutylidene)hydrazinyl]purine-2,6-dione

7-[(2R)-2-hydroxypropyl]-3-methyl-8-[2-(1-phenylbutylidene)hydrazinyl]purine-2,6-dione (PubChem CID 7214260) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 7-[(2R)-2-hydroxypropyl]-3-methyl-8-[2-(1-phenylbutylidene)hydrazinyl]purine-2,6-dione.

Molecular Properties

Compound Name7-[(2R)-2-hydroxypropyl]-3-methyl-8-[2-(1-phenylbutylidene)hydrazinyl]purine-2,6-dione
PubChem CID7214260
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name7-[(2R)-2-hydroxypropyl]-3-methyl-8-[2-(1-phenylbutylidene)hydrazinyl]purine-2,6-dione
SMILESCCCC(=NNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](C)O)c1ccccc1
InChIInChI=1S/C19H24N6O3/c1-4-8-14(13-9-6-5-7-10-13)22-23-18-20-16-15(25(18)11-12(2)26)17(27)21-19(28)24(16)3/h5-7,9-10,12,26H,4,8,11H2,1-3H3,(H,20,23)(H,21,27,28)/t12-/m1/s1
InChIKeyLNPUADZWVAYRLT-GFCCVEGCSA-N
XLogP1.42
TPSA117.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-7-octyl-8-[2-(1-phenylbutylidene)hydrazinyl]purine-2,6-dione
CID 3107477
8-[(2E)-2-butan-2-ylidenehydrazinyl]-3-methyl-7-(2-phenylethyl)purine-2,6-dione
CID 5440226
8-[(2E)-2-[(E)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione
CID 22303660
8-[(2Z)-2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione
CID 136694793
7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-8-[2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione
CID 3848158
7-[(2R)-2,3-dihydroxypropyl]-8-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-3-methylpurine-2,6-dione
CID 136800765
8-anilino-7-[(2R)-2,3-dihydroxypropyl]-3-methylpurine-2,6-dione
CID 99806691
8-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-7-propylpurine-2,6-dione
CID 135630531
8-[(2Z)-2-butan-2-ylidenehydrazinyl]-7-hexadecyl-3-methylpurine-2,6-dione
CID 6024992
8-(2-butan-2-ylidenehydrazinyl)-7-hexadecyl-3-methylpurine-2,6-dione
CID 4162072
7-butyl-8-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-3-methylpurine-2,6-dione
CID 136862659
N-[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-3-phenylprop-2-enehydrazonoyl bromide
CID 4304851

Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-2-hydroxypropyl]-3-methyl-8-[2-(1-phenylbutylidene)hydrazinyl]purine-2,6-dione?
The IUPAC name of 7-[(2R)-2-hydroxypropyl]-3-methyl-8-[2-(1-phenylbutylidene)hydrazinyl]purine-2,6-dione (CID 7214260) is 7-[(2R)-2-hydroxypropyl]-3-methyl-8-[2-(1-phenylbutylidene)hydrazinyl]purine-2,6-dione.
What is the SMILES notation for 7-[(2R)-2-hydroxypropyl]-3-methyl-8-[2-(1-phenylbutylidene)hydrazinyl]purine-2,6-dione?
The canonical SMILES for 7-[(2R)-2-hydroxypropyl]-3-methyl-8-[2-(1-phenylbutylidene)hydrazinyl]purine-2,6-dione is CCCC(=NNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](C)O)c1ccccc1.
What is the InChIKey of 7-[(2R)-2-hydroxypropyl]-3-methyl-8-[2-(1-phenylbutylidene)hydrazinyl]purine-2,6-dione?
The InChIKey is LNPUADZWVAYRLT-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-4-8-14(13-9-6-5-7-10-13)22-23-18-20-16-15(25(18)11-12(2)26)17(27)21-19(28)24(16)3/h5-7,9-10,12,26H,4,8,11H2,1-3H3,(H,20,23)(H,21,27,28)/t12-/m1/s1.
What are the key properties of 7-[(2R)-2-hydroxypropyl]-3-methyl-8-[2-(1-phenylbutylidene)hydrazinyl]purine-2,6-dione?
7-[(2R)-2-hydroxypropyl]-3-methyl-8-[2-(1-phenylbutylidene)hydrazinyl]purine-2,6-dione has a molecular weight of 384.44 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-2-hydroxypropyl]-3-methyl-8-[2-(1-phenylbutylidene)hydrazinyl]purine-2,6-dione is sourced from PubChem (CID 7214260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).