N-(5-methoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine

C19H17N5O — CID 11450357

IUPACN-(5-methoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1ccc(C)c(Nc2ncc3ccn(-c4ccccn4)c3n2)c1
InChIInChI=1S/C19H17N5O/c1-13-6-7-15(25-2)11-16(13)22-19-21-12-14-8-10-24(18(14)23-19)17-5-3-4-9-20-17/h3-12H,1-2H3,(H,21,22,23)
InChIKeyGFYSMCVIJGKQFK-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.88
Rot. Bonds4

About N-(5-methoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine

N-(5-methoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 11450357) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(5-methoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(5-methoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID11450357
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC NameN-(5-methoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1ccc(C)c(Nc2ncc3ccn(-c4ccccn4)c3n2)c1
InChIInChI=1S/C19H17N5O/c1-13-6-7-15(25-2)11-16(13)22-19-21-12-14-8-10-24(18(14)23-19)17-5-3-4-9-20-17/h3-12H,1-2H3,(H,21,22,23)
InChIKeyGFYSMCVIJGKQFK-UHFFFAOYSA-N
XLogP3.88
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-(5-methoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine (CID 11450357) is N-(5-methoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(5-methoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(5-methoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine is COc1ccc(C)c(Nc2ncc3ccn(-c4ccccn4)c3n2)c1.
What is the InChIKey of N-(5-methoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is GFYSMCVIJGKQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-13-6-7-15(25-2)11-16(13)22-19-21-12-14-8-10-24(18(14)23-19)17-5-3-4-9-20-17/h3-12H,1-2H3,(H,21,22,23).
What are the key properties of N-(5-methoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
N-(5-methoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 331.38 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 11450357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).