2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C18H15FN6O — CID 126537555

IUPAC2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1cnccc1Nc1nc(-c2ccc(F)c(C)n2)nc2[nH]ccc12
InChIInChI=1S/C18H15FN6O/c1-10-12(19)3-4-14(22-10)18-24-16-11(5-8-21-16)17(25-18)23-13-6-7-20-9-15(13)26-2/h3-9H,1-2H3,(H2,20,21,23,24,25)
InChIKeyTYASSTQDUQINOR-UHFFFAOYSA-N
MW350.36 g/mol
LogP3.61
Rot. Bonds4

About 2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 126537555) has the molecular formula C18H15FN6O and a molecular weight of 350.36 g/mol. Its IUPAC name is 2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID126537555
Molecular FormulaC18H15FN6O
Molecular Weight350.36 g/mol
Exact Mass350.13
IUPAC Name2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1cnccc1Nc1nc(-c2ccc(F)c(C)n2)nc2[nH]ccc12
InChIInChI=1S/C18H15FN6O/c1-10-12(19)3-4-14(22-10)18-24-16-11(5-8-21-16)17(25-18)23-13-6-7-20-9-15(13)26-2/h3-9H,1-2H3,(H2,20,21,23,24,25)
InChIKeyTYASSTQDUQINOR-UHFFFAOYSA-N
XLogP3.61
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 126537555) is 2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is COc1cnccc1Nc1nc(-c2ccc(F)c(C)n2)nc2[nH]ccc12.
What is the InChIKey of 2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is TYASSTQDUQINOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O/c1-10-12(19)3-4-14(22-10)18-24-16-11(5-8-21-16)17(25-18)23-13-6-7-20-9-15(13)26-2/h3-9H,1-2H3,(H2,20,21,23,24,25).
What are the key properties of 2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 350.36 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 126537555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).