N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C17H13FN6 — CID 126537506

IUPACN-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(-c2nc(Nc3ccncc3F)c3cc[nH]c3n2)n1
InChIInChI=1S/C17H13FN6/c1-10-3-2-4-14(21-10)17-23-15-11(5-8-20-15)16(24-17)22-13-6-7-19-9-12(13)18/h2-9H,1H3,(H2,19,20,22,23,24)
InChIKeyGAWGUDTUQRRPQK-UHFFFAOYSA-N
MW320.33 g/mol
LogP3.61
Rot. Bonds3

About N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 126537506) has the molecular formula C17H13FN6 and a molecular weight of 320.33 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID126537506
Molecular FormulaC17H13FN6
Molecular Weight320.33 g/mol
Exact Mass320.12
IUPAC NameN-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(-c2nc(Nc3ccncc3F)c3cc[nH]c3n2)n1
InChIInChI=1S/C17H13FN6/c1-10-3-2-4-14(21-10)17-23-15-11(5-8-20-15)16(24-17)22-13-6-7-19-9-12(13)18/h2-9H,1H3,(H2,19,20,22,23,24)
InChIKeyGAWGUDTUQRRPQK-UHFFFAOYSA-N
XLogP3.61
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 126537506) is N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1cccc(-c2nc(Nc3ccncc3F)c3cc[nH]c3n2)n1.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is GAWGUDTUQRRPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6/c1-10-3-2-4-14(21-10)17-23-15-11(5-8-20-15)16(24-17)22-13-6-7-19-9-12(13)18/h2-9H,1H3,(H2,19,20,22,23,24).
What are the key properties of N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 320.33 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 126537506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).