6-(2-chloro-5-fluoro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-amine

C14H13ClFN5 — CID 155161057

IUPAC6-(2-chloro-5-fluoro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-amine
SMILESCCCc1c(F)c2cnc(Cl)nc2n1-c1cccc(N)n1
InChIInChI=1S/C14H13ClFN5/c1-2-4-9-12(16)8-7-18-14(15)20-13(8)21(9)11-6-3-5-10(17)19-11/h3,5-7H,2,4H2,1H3,(H2,17,19)
InChIKeyYDIPGALIFZVUML-UHFFFAOYSA-N
MW305.74 g/mol
LogP3.14
Rot. Bonds3

About 6-(2-chloro-5-fluoro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-amine

6-(2-chloro-5-fluoro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-amine (PubChem CID 155161057) has the molecular formula C14H13ClFN5 and a molecular weight of 305.74 g/mol. Its IUPAC name is 6-(2-chloro-5-fluoro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-(2-chloro-5-fluoro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-amine
PubChem CID155161057
Molecular FormulaC14H13ClFN5
Molecular Weight305.74 g/mol
Exact Mass305.08
IUPAC Name6-(2-chloro-5-fluoro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-amine
SMILESCCCc1c(F)c2cnc(Cl)nc2n1-c1cccc(N)n1
InChIInChI=1S/C14H13ClFN5/c1-2-4-9-12(16)8-7-18-14(15)20-13(8)21(9)11-6-3-5-10(17)19-11/h3,5-7H,2,4H2,1H3,(H2,17,19)
InChIKeyYDIPGALIFZVUML-UHFFFAOYSA-N
XLogP3.14
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-5-fluoro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-amine?
The IUPAC name of 6-(2-chloro-5-fluoro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-amine (CID 155161057) is 6-(2-chloro-5-fluoro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-amine.
What is the SMILES notation for 6-(2-chloro-5-fluoro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-amine?
The canonical SMILES for 6-(2-chloro-5-fluoro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-amine is CCCc1c(F)c2cnc(Cl)nc2n1-c1cccc(N)n1.
What is the InChIKey of 6-(2-chloro-5-fluoro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-amine?
The InChIKey is YDIPGALIFZVUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN5/c1-2-4-9-12(16)8-7-18-14(15)20-13(8)21(9)11-6-3-5-10(17)19-11/h3,5-7H,2,4H2,1H3,(H2,17,19).
What are the key properties of 6-(2-chloro-5-fluoro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-amine?
6-(2-chloro-5-fluoro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-amine has a molecular weight of 305.74 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-5-fluoro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-amine is sourced from PubChem (CID 155161057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).