6-[[8-[2-aminopropyl(methyl)amino]-7-ethyl-3-methyl-2,6-dioxopurin-1-yl]methyl]pyridine-3-carbonitrile

C19H24N8O2 — CID 67819424

IUPAC6-[[8-[2-aminopropyl(methyl)amino]-7-ethyl-3-methyl-2,6-dioxopurin-1-yl]methyl]pyridine-3-carbonitrile
SMILESCCn1c(N(C)CC(C)N)nc2c1c(=O)n(Cc1ccc(C#N)cn1)c(=O)n2C
InChIInChI=1S/C19H24N8O2/c1-5-26-15-16(23-18(26)24(3)10-12(2)21)25(4)19(29)27(17(15)28)11-14-7-6-13(8-20)9-22-14/h6-7,9,12H,5,10-11,21H2,1-4H3
InChIKeyIPTSTMYJJPUMPH-UHFFFAOYSA-N
MW396.46 g/mol
LogP0.01
Rot. Bonds6

About 6-[[8-[2-aminopropyl(methyl)amino]-7-ethyl-3-methyl-2,6-dioxopurin-1-yl]methyl]pyridine-3-carbonitrile

6-[[8-[2-aminopropyl(methyl)amino]-7-ethyl-3-methyl-2,6-dioxopurin-1-yl]methyl]pyridine-3-carbonitrile (PubChem CID 67819424) has the molecular formula C19H24N8O2 and a molecular weight of 396.46 g/mol. Its IUPAC name is 6-[[8-[2-aminopropyl(methyl)amino]-7-ethyl-3-methyl-2,6-dioxopurin-1-yl]methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[8-[2-aminopropyl(methyl)amino]-7-ethyl-3-methyl-2,6-dioxopurin-1-yl]methyl]pyridine-3-carbonitrile
PubChem CID67819424
Molecular FormulaC19H24N8O2
Molecular Weight396.46 g/mol
Exact Mass396.20
IUPAC Name6-[[8-[2-aminopropyl(methyl)amino]-7-ethyl-3-methyl-2,6-dioxopurin-1-yl]methyl]pyridine-3-carbonitrile
SMILESCCn1c(N(C)CC(C)N)nc2c1c(=O)n(Cc1ccc(C#N)cn1)c(=O)n2C
InChIInChI=1S/C19H24N8O2/c1-5-26-15-16(23-18(26)24(3)10-12(2)21)25(4)19(29)27(17(15)28)11-14-7-6-13(8-20)9-22-14/h6-7,9,12H,5,10-11,21H2,1-4H3
InChIKeyIPTSTMYJJPUMPH-UHFFFAOYSA-N
XLogP0.01
TPSA127.76 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-[[8-[2-aminopropyl(methyl)amino]-7-ethyl-3-methyl-2,6-dioxopurin-1-yl]methyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[[8-[2-aminopropyl(methyl)amino]-7-ethyl-3-methyl-2,6-dioxopurin-1-yl]methyl]pyridine-3-carbonitrile (CID 67819424) is 6-[[8-[2-aminopropyl(methyl)amino]-7-ethyl-3-methyl-2,6-dioxopurin-1-yl]methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[8-[2-aminopropyl(methyl)amino]-7-ethyl-3-methyl-2,6-dioxopurin-1-yl]methyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[8-[2-aminopropyl(methyl)amino]-7-ethyl-3-methyl-2,6-dioxopurin-1-yl]methyl]pyridine-3-carbonitrile is CCn1c(N(C)CC(C)N)nc2c1c(=O)n(Cc1ccc(C#N)cn1)c(=O)n2C.
What is the InChIKey of 6-[[8-[2-aminopropyl(methyl)amino]-7-ethyl-3-methyl-2,6-dioxopurin-1-yl]methyl]pyridine-3-carbonitrile?
The InChIKey is IPTSTMYJJPUMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O2/c1-5-26-15-16(23-18(26)24(3)10-12(2)21)25(4)19(29)27(17(15)28)11-14-7-6-13(8-20)9-22-14/h6-7,9,12H,5,10-11,21H2,1-4H3.
What are the key properties of 6-[[8-[2-aminopropyl(methyl)amino]-7-ethyl-3-methyl-2,6-dioxopurin-1-yl]methyl]pyridine-3-carbonitrile?
6-[[8-[2-aminopropyl(methyl)amino]-7-ethyl-3-methyl-2,6-dioxopurin-1-yl]methyl]pyridine-3-carbonitrile has a molecular weight of 396.46 g/mol, XLogP of 0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[8-[2-aminopropyl(methyl)amino]-7-ethyl-3-methyl-2,6-dioxopurin-1-yl]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 67819424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).