9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboxylic acid

C17H18N6O3 — CID 168920808

IUPAC9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboxylic acid
SMILESCCn1c(-c2ccncc2)nc2c(N3CCOCC3)nc(C(=O)O)nc21
InChIInChI=1S/C17H18N6O3/c1-2-23-14(11-3-5-18-6-4-11)19-12-15(22-7-9-26-10-8-22)20-13(17(24)25)21-16(12)23/h3-6H,2,7-10H2,1H3,(H,24,25)
InChIKeyBRLOFFLMANPMBM-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.44
Rot. Bonds4

About 9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboxylic acid

9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboxylic acid (PubChem CID 168920808) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is 9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboxylic acid.

Molecular Properties

Compound Name9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboxylic acid
PubChem CID168920808
Molecular FormulaC17H18N6O3
Molecular Weight354.37 g/mol
Exact Mass354.14
IUPAC Name9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboxylic acid
SMILESCCn1c(-c2ccncc2)nc2c(N3CCOCC3)nc(C(=O)O)nc21
InChIInChI=1S/C17H18N6O3/c1-2-23-14(11-3-5-18-6-4-11)19-12-15(22-7-9-26-10-8-22)20-13(17(24)25)21-16(12)23/h3-6H,2,7-10H2,1H3,(H,24,25)
InChIKeyBRLOFFLMANPMBM-UHFFFAOYSA-N
XLogP1.44
TPSA106.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(1Z,3E)-3-(9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurin-2-yl)-1-phenylbuta-1,3-diene-1,4-diamine
CID 168921334
4-[9-ethyl-2-(4-phenylpyridazin-3-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921480
4-[9-ethyl-2-(6-methyl-5-phenylpyridazin-3-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921146
4-[9-ethyl-2-(4-methoxypyrazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921657
N'-hydroxy-9-methyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboximidamide
CID 162379149
1-[1-(9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurin-2-yl)pyrazol-4-yl]cyclobutan-1-ol
CID 168921646
4-[9-ethyl-2-[3-(oxan-4-yl)pyrazol-1-yl]-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168920984
4-[9-ethyl-2-(5-methylindazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921287
4-[2-chloro-9-(methylsulfonylmethyl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921437
4-[9-ethyl-2-(1H-indazol-4-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168920804
9-ethyl-6-piperidin-1-yl-8-pyridin-4-ylpurin-2-amine
CID 168921464
4-[9-(methylsulfinylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921212

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboxylic acid?
The IUPAC name of 9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboxylic acid (CID 168920808) is 9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboxylic acid.
What is the SMILES notation for 9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboxylic acid?
The canonical SMILES for 9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboxylic acid is CCn1c(-c2ccncc2)nc2c(N3CCOCC3)nc(C(=O)O)nc21.
What is the InChIKey of 9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboxylic acid?
The InChIKey is BRLOFFLMANPMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3/c1-2-23-14(11-3-5-18-6-4-11)19-12-15(22-7-9-26-10-8-22)20-13(17(24)25)21-16(12)23/h3-6H,2,7-10H2,1H3,(H,24,25).
What are the key properties of 9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboxylic acid?
9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboxylic acid has a molecular weight of 354.37 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboxylic acid is sourced from PubChem (CID 168920808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).