5-[6-(methylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione

C12H11N5O2 — CID 56916433

IUPAC5-[6-(methylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione
SMILESCNc1cc(-c2c[nH]c(=O)[nH]c2=O)c2cc[nH]c2n1
InChIInChI=1S/C12H11N5O2/c1-13-9-4-7(6-2-3-14-10(6)16-9)8-5-15-12(19)17-11(8)18/h2-5H,1H3,(H2,13,14,16)(H2,15,17,18,19)
InChIKeyBQIZYICCAWECSX-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.65
Rot. Bonds2

About 5-[6-(methylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione

5-[6-(methylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione (PubChem CID 56916433) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 5-[6-(methylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[6-(methylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione
PubChem CID56916433
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name5-[6-(methylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione
SMILESCNc1cc(-c2c[nH]c(=O)[nH]c2=O)c2cc[nH]c2n1
InChIInChI=1S/C12H11N5O2/c1-13-9-4-7(6-2-3-14-10(6)16-9)8-5-15-12(19)17-11(8)18/h2-5H,1H3,(H2,13,14,16)(H2,15,17,18,19)
InChIKeyBQIZYICCAWECSX-UHFFFAOYSA-N
XLogP0.65
TPSA106.43 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione
CID 56916716
4-isoquinolin-4-yl-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70762148
N-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56916569
N-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56910762
4-[4-(2-amino-1H-imidazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56893895
N-methyl-4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56910474
4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56899228
N-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56911434
5-(1H-indol-7-yl)-1H-pyrimidine-2,4-dione
CID 56624008
2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135500331
2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride
CID 169060191
2-fluoro-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 153328051

Frequently Asked Questions

What is the IUPAC name of 5-[6-(methylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[6-(methylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione (CID 56916433) is 5-[6-(methylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[6-(methylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[6-(methylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione is CNc1cc(-c2c[nH]c(=O)[nH]c2=O)c2cc[nH]c2n1.
What is the InChIKey of 5-[6-(methylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is BQIZYICCAWECSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c1-13-9-4-7(6-2-3-14-10(6)16-9)8-5-15-12(19)17-11(8)18/h2-5H,1H3,(H2,13,14,16)(H2,15,17,18,19).
What are the key properties of 5-[6-(methylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione?
5-[6-(methylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 257.25 g/mol, XLogP of 0.65, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(methylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 56916433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).