2-[[4-(2-amino-6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid

C14H14N6O2 — CID 70772763

IUPAC2-[[4-(2-amino-6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid
SMILESCc1cc(-c2cc(NCC(=O)O)nc3[nH]ccc23)nc(N)n1
InChIInChI=1S/C14H14N6O2/c1-7-4-10(19-14(15)18-7)9-5-11(17-6-12(21)22)20-13-8(9)2-3-16-13/h2-5H,6H2,1H3,(H,21,22)(H2,15,18,19)(H2,16,17,20)
InChIKeyOKPVHYVEUGHDHN-UHFFFAOYSA-N
MW298.31 g/mol
LogP1.41
Rot. Bonds4

About 2-[[4-(2-amino-6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid

2-[[4-(2-amino-6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid (PubChem CID 70772763) has the molecular formula C14H14N6O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-[[4-(2-amino-6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(2-amino-6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid
PubChem CID70772763
Molecular FormulaC14H14N6O2
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC Name2-[[4-(2-amino-6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid
SMILESCc1cc(-c2cc(NCC(=O)O)nc3[nH]ccc23)nc(N)n1
InChIInChI=1S/C14H14N6O2/c1-7-4-10(19-14(15)18-7)9-5-11(17-6-12(21)22)20-13-8(9)2-3-16-13/h2-5H,6H2,1H3,(H,21,22)(H2,15,18,19)(H2,16,17,20)
InChIKeyOKPVHYVEUGHDHN-UHFFFAOYSA-N
XLogP1.41
TPSA129.81 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(2-amino-6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid with MolForge

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Related Compounds

2-[[4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid
CID 56908458
1-[(2-amino-6-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-2-one
CID 58679014
4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56899228
1-[6-[6-(2-hydroxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]ethanone
CID 56901295
N-(pyridin-3-ylmethyl)-4-(4,5,6-trimethyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56910898
4-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
CID 56912389
4-(5-ethyl-2-methylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56902926
5-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxamide
CID 56901483
N-benzyl-4-ethyl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 146338738
4-(6-amino-2-pyridinyl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56895349
4-(1H-imidazo[4,5-b]pyridin-5-yl)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56896945
4-(6-amino-3-pyridinyl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56907286

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-amino-6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid?
The IUPAC name of 2-[[4-(2-amino-6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid (CID 70772763) is 2-[[4-(2-amino-6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(2-amino-6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid?
The canonical SMILES for 2-[[4-(2-amino-6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid is Cc1cc(-c2cc(NCC(=O)O)nc3[nH]ccc23)nc(N)n1.
What is the InChIKey of 2-[[4-(2-amino-6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid?
The InChIKey is OKPVHYVEUGHDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2/c1-7-4-10(19-14(15)18-7)9-5-11(17-6-12(21)22)20-13-8(9)2-3-16-13/h2-5H,6H2,1H3,(H,21,22)(H2,15,18,19)(H2,16,17,20).
What are the key properties of 2-[[4-(2-amino-6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid?
2-[[4-(2-amino-6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid has a molecular weight of 298.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-amino-6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid is sourced from PubChem (CID 70772763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).