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

C18H15N5 — CID 11185701

IUPACN-(3-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1cccc(Nc2ncc3ccn(-c4ccccn4)c3n2)c1
InChIInChI=1S/C18H15N5/c1-13-5-4-6-15(11-13)21-18-20-12-14-8-10-23(17(14)22-18)16-7-2-3-9-19-16/h2-12H,1H3,(H,20,21,22)
InChIKeyKHLNYOQZQBIOTQ-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.87
Rot. Bonds3

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

N-(3-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 11185701) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(3-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID11185701
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC NameN-(3-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1cccc(Nc2ncc3ccn(-c4ccccn4)c3n2)c1
InChIInChI=1S/C18H15N5/c1-13-5-4-6-15(11-13)21-18-20-12-14-8-10-23(17(14)22-18)16-7-2-3-9-19-16/h2-12H,1H3,(H,20,21,22)
InChIKeyKHLNYOQZQBIOTQ-UHFFFAOYSA-N
XLogP3.87
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-(3-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine (CID 11185701) is N-(3-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(3-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(3-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine is Cc1cccc(Nc2ncc3ccn(-c4ccccn4)c3n2)c1.
What is the InChIKey of N-(3-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is KHLNYOQZQBIOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5/c1-13-5-4-6-15(11-13)21-18-20-12-14-8-10-23(17(14)22-18)16-7-2-3-9-19-16/h2-12H,1H3,(H,20,21,22).
What are the key properties of N-(3-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
N-(3-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 301.35 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 11185701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).