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

C18H16FN7 — CID 135283790

IUPAC5-(2-amino-4-pyridinyl)-N-[(3-fluoro-2-pyridinyl)methyl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ncccc2F)c2c(-c3ccnc(N)c3)c[nH]c2n1
InChIInChI=1S/C18H16FN7/c1-10-25-17-16(12(8-23-17)11-4-6-22-15(20)7-11)18(26-10)24-9-14-13(19)3-2-5-21-14/h2-8H,9H2,1H3,(H2,20,22)(H2,23,24,25,26)
InChIKeyMGEGGAFJSKMJJD-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.06
Rot. Bonds4

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

5-(2-amino-4-pyridinyl)-N-[(3-fluoro-2-pyridinyl)methyl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 135283790) has the molecular formula C18H16FN7 and a molecular weight of 349.37 g/mol. Its IUPAC name is 5-(2-amino-4-pyridinyl)-N-[(3-fluoro-2-pyridinyl)methyl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-amino-4-pyridinyl)-N-[(3-fluoro-2-pyridinyl)methyl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID135283790
Molecular FormulaC18H16FN7
Molecular Weight349.37 g/mol
Exact Mass349.15
IUPAC Name5-(2-amino-4-pyridinyl)-N-[(3-fluoro-2-pyridinyl)methyl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ncccc2F)c2c(-c3ccnc(N)c3)c[nH]c2n1
InChIInChI=1S/C18H16FN7/c1-10-25-17-16(12(8-23-17)11-4-6-22-15(20)7-11)18(26-10)24-9-14-13(19)3-2-5-21-14/h2-8H,9H2,1H3,(H2,20,22)(H2,23,24,25,26)
InChIKeyMGEGGAFJSKMJJD-UHFFFAOYSA-N
XLogP3.06
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4-pyridinyl)-N-[(3-fluoro-2-pyridinyl)methyl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(2-amino-4-pyridinyl)-N-[(3-fluoro-2-pyridinyl)methyl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 135283790) is 5-(2-amino-4-pyridinyl)-N-[(3-fluoro-2-pyridinyl)methyl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(2-amino-4-pyridinyl)-N-[(3-fluoro-2-pyridinyl)methyl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(2-amino-4-pyridinyl)-N-[(3-fluoro-2-pyridinyl)methyl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1nc(NCc2ncccc2F)c2c(-c3ccnc(N)c3)c[nH]c2n1.
What is the InChIKey of 5-(2-amino-4-pyridinyl)-N-[(3-fluoro-2-pyridinyl)methyl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is MGEGGAFJSKMJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN7/c1-10-25-17-16(12(8-23-17)11-4-6-22-15(20)7-11)18(26-10)24-9-14-13(19)3-2-5-21-14/h2-8H,9H2,1H3,(H2,20,22)(H2,23,24,25,26).
What are the key properties of 5-(2-amino-4-pyridinyl)-N-[(3-fluoro-2-pyridinyl)methyl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
5-(2-amino-4-pyridinyl)-N-[(3-fluoro-2-pyridinyl)methyl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 349.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-4-pyridinyl)-N-[(3-fluoro-2-pyridinyl)methyl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 135283790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).