2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-6-methylpyridine-3-carboxylic acid

C15H16N4O2 — CID 56744646

IUPAC2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-6-methylpyridine-3-carboxylic acid
SMILESCCc1ncc2c(n1)CN(c1nc(C)ccc1C(=O)O)C2
InChIInChI=1S/C15H16N4O2/c1-3-13-16-6-10-7-19(8-12(10)18-13)14-11(15(20)21)5-4-9(2)17-14/h4-6H,3,7-8H2,1-2H3,(H,20,21)
InChIKeyXAHCPOMJLRBGND-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.96
Rot. Bonds3

About 2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-6-methylpyridine-3-carboxylic acid

2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-6-methylpyridine-3-carboxylic acid (PubChem CID 56744646) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-6-methylpyridine-3-carboxylic acid
PubChem CID56744646
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-6-methylpyridine-3-carboxylic acid
SMILESCCc1ncc2c(n1)CN(c1nc(C)ccc1C(=O)O)C2
InChIInChI=1S/C15H16N4O2/c1-3-13-16-6-10-7-19(8-12(10)18-13)14-11(15(20)21)5-4-9(2)17-14/h4-6H,3,7-8H2,1-2H3,(H,20,21)
InChIKeyXAHCPOMJLRBGND-UHFFFAOYSA-N
XLogP1.96
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-6-methylpyridine-3-carboxylic acid (CID 56744646) is 2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-6-methylpyridine-3-carboxylic acid is CCc1ncc2c(n1)CN(c1nc(C)ccc1C(=O)O)C2.
What is the InChIKey of 2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-6-methylpyridine-3-carboxylic acid?
The InChIKey is XAHCPOMJLRBGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-3-13-16-6-10-7-19(8-12(10)18-13)14-11(15(20)21)5-4-9(2)17-14/h4-6H,3,7-8H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-6-methylpyridine-3-carboxylic acid?
2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-6-methylpyridine-3-carboxylic acid has a molecular weight of 284.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 56744646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).