4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

C12H11N5 — CID 91462753

IUPAC4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESCc1cnc2[nH]cc(-c3ccnc(N)n3)c2c1
InChIInChI=1S/C12H11N5/c1-7-4-8-9(6-16-11(8)15-5-7)10-2-3-14-12(13)17-10/h2-6H,1H3,(H,15,16)(H2,13,14,17)
InChIKeyPEVKHKKIEQMCOR-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.91
Rot. Bonds1

About 4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (PubChem CID 91462753) has the molecular formula C12H11N5 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
PubChem CID91462753
Molecular FormulaC12H11N5
Molecular Weight225.25 g/mol
Exact Mass225.10
IUPAC Name4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESCc1cnc2[nH]cc(-c3ccnc(N)n3)c2c1
InChIInChI=1S/C12H11N5/c1-7-4-8-9(6-16-11(8)15-5-7)10-2-3-14-12(13)17-10/h2-6H,1H3,(H,15,16)(H2,13,14,17)
InChIKeyPEVKHKKIEQMCOR-UHFFFAOYSA-N
XLogP1.91
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1H-Pyrrolo(2,3-b)pyridine
CID 9222
PP121
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(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
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4-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-amine
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Pexidartinib Hydrochloride
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CID 3000181

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (CID 91462753) is 4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is Cc1cnc2[nH]cc(-c3ccnc(N)n3)c2c1.
What is the InChIKey of 4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The InChIKey is PEVKHKKIEQMCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-7-4-8-9(6-16-11(8)15-5-7)10-2-3-14-12(13)17-10/h2-6H,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine has a molecular weight of 225.25 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 91462753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).