8-(2-amino-5-chlorophenyl)-1,3-dipropyl-7H-purine-2,6-dione

C17H20ClN5O2 — CID 10904528

IUPAC8-(2-amino-5-chlorophenyl)-1,3-dipropyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)c2[nH]c(-c3cc(Cl)ccc3N)nc2n(CCC)c1=O
InChIInChI=1S/C17H20ClN5O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-9-10(18)5-6-12(11)19/h5-6,9H,3-4,7-8,19H2,1-2H3,(H,20,21)
InChIKeyOIMCHAJYZJJSOS-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.61
Rot. Bonds5

About 8-(2-amino-5-chlorophenyl)-1,3-dipropyl-7H-purine-2,6-dione

8-(2-amino-5-chlorophenyl)-1,3-dipropyl-7H-purine-2,6-dione (PubChem CID 10904528) has the molecular formula C17H20ClN5O2 and a molecular weight of 361.83 g/mol. Its IUPAC name is 8-(2-amino-5-chlorophenyl)-1,3-dipropyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-(2-amino-5-chlorophenyl)-1,3-dipropyl-7H-purine-2,6-dione
PubChem CID10904528
Molecular FormulaC17H20ClN5O2
Molecular Weight361.83 g/mol
Exact Mass361.13
IUPAC Name8-(2-amino-5-chlorophenyl)-1,3-dipropyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)c2[nH]c(-c3cc(Cl)ccc3N)nc2n(CCC)c1=O
InChIInChI=1S/C17H20ClN5O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-9-10(18)5-6-12(11)19/h5-6,9H,3-4,7-8,19H2,1-2H3,(H,20,21)
InChIKeyOIMCHAJYZJJSOS-UHFFFAOYSA-N
XLogP2.61
TPSA98.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

8-(4-iodophenyl)-1,3-dipropyl-7H-purine-2,6-dione
CID 11123022
8-[5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione
CID 91125701
1,3-dipropyl-8-thiophen-2-yl-7H-purine-2,6-dione
CID 14795484
1-(3-chlorophenyl)-1-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-methylpyrazol-3-yl]urea
CID 135610064
8-(2-ethyl-5-methylpyrazol-3-yl)-1,3-dipropyl-7H-purine-2,6-dione
CID 135489505
8-(1-phenyl-5-propylpyrazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione
CID 11495464
8-(2,5-dichlorophenyl)-3-ethyl-7H-purine-2,6-dione
CID 115925610
4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-N'-methylbenzenecarboximidamide;hydrate;hydrochloride
CID 70053538
8-[6-(methylamino)-3-pyridinyl]-1,3-dipropyl-7H-purine-2,6-dione
CID 67054391
N-(2-chlorophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1H-pyrazol-5-yl]acetamide
CID 67221627
2,6-dioxo-1,3-dipropyl-7H-purine-8-carboxylic acid
CID 57052107
8-[1-[3-(4-aminophenyl)prop-2-ynyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione
CID 143868269

Frequently Asked Questions

What is the IUPAC name of 8-(2-amino-5-chlorophenyl)-1,3-dipropyl-7H-purine-2,6-dione?
The IUPAC name of 8-(2-amino-5-chlorophenyl)-1,3-dipropyl-7H-purine-2,6-dione (CID 10904528) is 8-(2-amino-5-chlorophenyl)-1,3-dipropyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-(2-amino-5-chlorophenyl)-1,3-dipropyl-7H-purine-2,6-dione?
The canonical SMILES for 8-(2-amino-5-chlorophenyl)-1,3-dipropyl-7H-purine-2,6-dione is CCCn1c(=O)c2[nH]c(-c3cc(Cl)ccc3N)nc2n(CCC)c1=O.
What is the InChIKey of 8-(2-amino-5-chlorophenyl)-1,3-dipropyl-7H-purine-2,6-dione?
The InChIKey is OIMCHAJYZJJSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-9-10(18)5-6-12(11)19/h5-6,9H,3-4,7-8,19H2,1-2H3,(H,20,21).
What are the key properties of 8-(2-amino-5-chlorophenyl)-1,3-dipropyl-7H-purine-2,6-dione?
8-(2-amino-5-chlorophenyl)-1,3-dipropyl-7H-purine-2,6-dione has a molecular weight of 361.83 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-amino-5-chlorophenyl)-1,3-dipropyl-7H-purine-2,6-dione is sourced from PubChem (CID 10904528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).