8-(2-ethyl-5-methylpyrazol-3-yl)-1,3-dipropyl-7H-purine-2,6-dione

C17H24N6O2 — CID 135489505

IUPAC8-(2-ethyl-5-methylpyrazol-3-yl)-1,3-dipropyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)c2[nH]c(-c3cc(C)nn3CC)nc2n(CCC)c1=O
InChIInChI=1S/C17H24N6O2/c1-5-8-21-15-13(16(24)22(9-6-2)17(21)25)18-14(19-15)12-10-11(4)20-23(12)7-3/h10H,5-9H2,1-4H3,(H,18,19)
InChIKeyXMBZQKGOUSKEJS-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.90
Rot. Bonds6

About 8-(2-ethyl-5-methylpyrazol-3-yl)-1,3-dipropyl-7H-purine-2,6-dione

8-(2-ethyl-5-methylpyrazol-3-yl)-1,3-dipropyl-7H-purine-2,6-dione (PubChem CID 135489505) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 8-(2-ethyl-5-methylpyrazol-3-yl)-1,3-dipropyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-(2-ethyl-5-methylpyrazol-3-yl)-1,3-dipropyl-7H-purine-2,6-dione
PubChem CID135489505
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name8-(2-ethyl-5-methylpyrazol-3-yl)-1,3-dipropyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)c2[nH]c(-c3cc(C)nn3CC)nc2n(CCC)c1=O
InChIInChI=1S/C17H24N6O2/c1-5-8-21-15-13(16(24)22(9-6-2)17(21)25)18-14(19-15)12-10-11(4)20-23(12)7-3/h10H,5-9H2,1-4H3,(H,18,19)
InChIKeyXMBZQKGOUSKEJS-UHFFFAOYSA-N
XLogP1.90
TPSA90.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-[1-methyl-3-(pyridin-4-ylmethoxy)pyrazol-5-yl]-1,3-dipropyl-7H-purine-2,6-dione
CID 135529361
8-(4-iodophenyl)-1,3-dipropyl-7H-purine-2,6-dione
CID 11123022
1,3-dipropyl-8-thiophen-2-yl-7H-purine-2,6-dione
CID 14795484
8-(2-amino-5-chlorophenyl)-1,3-dipropyl-7H-purine-2,6-dione
CID 10904528
2-(4-bromophenyl)-2-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-methylpyrazol-3-yl]oxyacetamide
CID 136646940
1-(3-chlorophenyl)-1-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-methylpyrazol-3-yl]urea
CID 135610064
N-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-methylpyrazol-3-yl]methyl]-2-[4-(2-methylpropyl)phenyl]acetamide
CID 142271669
4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-N'-methylbenzenecarboximidamide;hydrate;hydrochloride
CID 70053538
8-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione
CID 22266739
8-[6-(methylamino)-3-pyridinyl]-1,3-dipropyl-7H-purine-2,6-dione
CID 67054391
tert-butyl N-[4-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-methylpyrazol-3-yl]amino]-4-oxobutyl]carbamate
CID 135529381
2,6-dioxo-1,3-dipropyl-7H-purine-8-carboxylic acid
CID 57052107

Frequently Asked Questions

What is the IUPAC name of 8-(2-ethyl-5-methylpyrazol-3-yl)-1,3-dipropyl-7H-purine-2,6-dione?
The IUPAC name of 8-(2-ethyl-5-methylpyrazol-3-yl)-1,3-dipropyl-7H-purine-2,6-dione (CID 135489505) is 8-(2-ethyl-5-methylpyrazol-3-yl)-1,3-dipropyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-(2-ethyl-5-methylpyrazol-3-yl)-1,3-dipropyl-7H-purine-2,6-dione?
The canonical SMILES for 8-(2-ethyl-5-methylpyrazol-3-yl)-1,3-dipropyl-7H-purine-2,6-dione is CCCn1c(=O)c2[nH]c(-c3cc(C)nn3CC)nc2n(CCC)c1=O.
What is the InChIKey of 8-(2-ethyl-5-methylpyrazol-3-yl)-1,3-dipropyl-7H-purine-2,6-dione?
The InChIKey is XMBZQKGOUSKEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-5-8-21-15-13(16(24)22(9-6-2)17(21)25)18-14(19-15)12-10-11(4)20-23(12)7-3/h10H,5-9H2,1-4H3,(H,18,19).
What are the key properties of 8-(2-ethyl-5-methylpyrazol-3-yl)-1,3-dipropyl-7H-purine-2,6-dione?
8-(2-ethyl-5-methylpyrazol-3-yl)-1,3-dipropyl-7H-purine-2,6-dione has a molecular weight of 344.42 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-ethyl-5-methylpyrazol-3-yl)-1,3-dipropyl-7H-purine-2,6-dione is sourced from PubChem (CID 135489505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).