8-(1-methylindol-2-yl)-1,3-dipropyl-7H-purine-2,6-dione

C20H23N5O2 — CID 15750279

IUPAC8-(1-methylindol-2-yl)-1,3-dipropyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)c2[nH]c(-c3cc4ccccc4n3C)nc2n(CCC)c1=O
InChIInChI=1S/C20H23N5O2/c1-4-10-24-18-16(19(26)25(11-5-2)20(24)27)21-17(22-18)15-12-13-8-6-7-9-14(13)23(15)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,21,22)
InChIKeyVCVUKWLDXKSIKJ-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.87
Rot. Bonds5

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

8-(1-methylindol-2-yl)-1,3-dipropyl-7H-purine-2,6-dione (PubChem CID 15750279) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 8-(1-methylindol-2-yl)-1,3-dipropyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-(1-methylindol-2-yl)-1,3-dipropyl-7H-purine-2,6-dione
PubChem CID15750279
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name8-(1-methylindol-2-yl)-1,3-dipropyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)c2[nH]c(-c3cc4ccccc4n3C)nc2n(CCC)c1=O
InChIInChI=1S/C20H23N5O2/c1-4-10-24-18-16(19(26)25(11-5-2)20(24)27)21-17(22-18)15-12-13-8-6-7-9-14(13)23(15)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,21,22)
InChIKeyVCVUKWLDXKSIKJ-UHFFFAOYSA-N
XLogP2.87
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(1-methylindol-2-yl)-1,3-dipropyl-7H-purine-2,6-dione?
The IUPAC name of 8-(1-methylindol-2-yl)-1,3-dipropyl-7H-purine-2,6-dione (CID 15750279) is 8-(1-methylindol-2-yl)-1,3-dipropyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-(1-methylindol-2-yl)-1,3-dipropyl-7H-purine-2,6-dione?
The canonical SMILES for 8-(1-methylindol-2-yl)-1,3-dipropyl-7H-purine-2,6-dione is CCCn1c(=O)c2[nH]c(-c3cc4ccccc4n3C)nc2n(CCC)c1=O.
What is the InChIKey of 8-(1-methylindol-2-yl)-1,3-dipropyl-7H-purine-2,6-dione?
The InChIKey is VCVUKWLDXKSIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-4-10-24-18-16(19(26)25(11-5-2)20(24)27)21-17(22-18)15-12-13-8-6-7-9-14(13)23(15)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,21,22).
What are the key properties of 8-(1-methylindol-2-yl)-1,3-dipropyl-7H-purine-2,6-dione?
8-(1-methylindol-2-yl)-1,3-dipropyl-7H-purine-2,6-dione has a molecular weight of 365.44 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylindol-2-yl)-1,3-dipropyl-7H-purine-2,6-dione is sourced from PubChem (CID 15750279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).