5-(2-chloro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C13H11ClN4O — CID 146632225

IUPAC5-(2-chloro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Cl)c(-c2c[nH]c3ncnc(N)c23)c1
InChIInChI=1S/C13H11ClN4O/c1-19-7-2-3-10(14)8(4-7)9-5-16-13-11(9)12(15)17-6-18-13/h2-6H,1H3,(H3,15,16,17,18)
InChIKeyOGNUMIAMVWGKLI-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.87
Rot. Bonds2

About 5-(2-chloro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

5-(2-chloro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 146632225) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 5-(2-chloro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-chloro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID146632225
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name5-(2-chloro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Cl)c(-c2c[nH]c3ncnc(N)c23)c1
InChIInChI=1S/C13H11ClN4O/c1-19-7-2-3-10(14)8(4-7)9-5-16-13-11(9)12(15)17-6-18-13/h2-6H,1H3,(H3,15,16,17,18)
InChIKeyOGNUMIAMVWGKLI-UHFFFAOYSA-N
XLogP2.87
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(2-chloro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 146632225) is 5-(2-chloro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(2-chloro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(2-chloro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is COc1ccc(Cl)c(-c2c[nH]c3ncnc(N)c23)c1.
What is the InChIKey of 5-(2-chloro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is OGNUMIAMVWGKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-19-7-2-3-10(14)8(4-7)9-5-16-13-11(9)12(15)17-6-18-13/h2-6H,1H3,(H3,15,16,17,18).
What are the key properties of 5-(2-chloro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
5-(2-chloro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 274.71 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 146632225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).