1-cyclopropyl-7-[(2-fluorophenyl)methyl]-3-phenylpurine-2,6-dione

C21H17FN4O2 — CID 46060833

IUPAC1-cyclopropyl-7-[(2-fluorophenyl)methyl]-3-phenylpurine-2,6-dione
SMILESO=c1c2c(ncn2Cc2ccccc2F)n(-c2ccccc2)c(=O)n1C1CC1
InChIInChI=1S/C21H17FN4O2/c22-17-9-5-4-6-14(17)12-24-13-23-19-18(24)20(27)26(16-10-11-16)21(28)25(19)15-7-2-1-3-8-15/h1-9,13,16H,10-12H2
InChIKeyKOYCYLNVIMUPIN-UHFFFAOYSA-N
MW376.39 g/mol
LogP2.87
Rot. Bonds4

About 1-cyclopropyl-7-[(2-fluorophenyl)methyl]-3-phenylpurine-2,6-dione

1-cyclopropyl-7-[(2-fluorophenyl)methyl]-3-phenylpurine-2,6-dione (PubChem CID 46060833) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is 1-cyclopropyl-7-[(2-fluorophenyl)methyl]-3-phenylpurine-2,6-dione.

Molecular Properties

Compound Name1-cyclopropyl-7-[(2-fluorophenyl)methyl]-3-phenylpurine-2,6-dione
PubChem CID46060833
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name1-cyclopropyl-7-[(2-fluorophenyl)methyl]-3-phenylpurine-2,6-dione
SMILESO=c1c2c(ncn2Cc2ccccc2F)n(-c2ccccc2)c(=O)n1C1CC1
InChIInChI=1S/C21H17FN4O2/c22-17-9-5-4-6-14(17)12-24-13-23-19-18(24)20(27)26(16-10-11-16)21(28)25(19)15-7-2-1-3-8-15/h1-9,13,16H,10-12H2
InChIKeyKOYCYLNVIMUPIN-UHFFFAOYSA-N
XLogP2.87
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopropyl-3-(4-fluorophenyl)-7-[(2-methoxyphenyl)methyl]purine-2,6-dione
CID 46062341
1-cyclopropyl-7-[(2-methoxyphenyl)methyl]-3-(3-methylphenyl)purine-2,6-dione
CID 42863288
1-cyclohexyl-7-[(4-methoxyphenyl)methyl]-3-phenylpurine-2,6-dione
CID 42862764
1-cyclopropyl-3-(3-methylphenyl)-7-[(3-methylphenyl)methyl]purine-2,6-dione
CID 46060926
1-ethyl-7-[(2-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)purine-2,6-dione
CID 46047611
7-benzyl-1-cyclopropyl-3-(2-methoxyphenyl)purine-2,6-dione
CID 42862789
1-cyclopentyl-3-(3-fluorophenyl)-7-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-dione
CID 83290209
3-(3-chlorophenyl)-7-[(2-fluorophenyl)methyl]-1-prop-2-enylpurine-2,6-dione
CID 46047398
7-[(2-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)-1-prop-2-enylpurine-2,6-dione
CID 46047594
1-cyclopropyl-7-[(3-methylphenyl)methyl]-3-(4-propan-2-ylphenyl)purine-2,6-dione
CID 46060716
7-[(2-chlorophenyl)methyl]-1-cyclopentyl-3-(2-methoxyphenyl)purine-2,6-dione
CID 46061753
3-(2,4-difluorophenyl)-7-[(2-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)purine-2,6-dione
CID 46060680

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7-[(2-fluorophenyl)methyl]-3-phenylpurine-2,6-dione?
The IUPAC name of 1-cyclopropyl-7-[(2-fluorophenyl)methyl]-3-phenylpurine-2,6-dione (CID 46060833) is 1-cyclopropyl-7-[(2-fluorophenyl)methyl]-3-phenylpurine-2,6-dione.
What is the SMILES notation for 1-cyclopropyl-7-[(2-fluorophenyl)methyl]-3-phenylpurine-2,6-dione?
The canonical SMILES for 1-cyclopropyl-7-[(2-fluorophenyl)methyl]-3-phenylpurine-2,6-dione is O=c1c2c(ncn2Cc2ccccc2F)n(-c2ccccc2)c(=O)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-7-[(2-fluorophenyl)methyl]-3-phenylpurine-2,6-dione?
The InChIKey is KOYCYLNVIMUPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c22-17-9-5-4-6-14(17)12-24-13-23-19-18(24)20(27)26(16-10-11-16)21(28)25(19)15-7-2-1-3-8-15/h1-9,13,16H,10-12H2.
What are the key properties of 1-cyclopropyl-7-[(2-fluorophenyl)methyl]-3-phenylpurine-2,6-dione?
1-cyclopropyl-7-[(2-fluorophenyl)methyl]-3-phenylpurine-2,6-dione has a molecular weight of 376.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7-[(2-fluorophenyl)methyl]-3-phenylpurine-2,6-dione is sourced from PubChem (CID 46060833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).