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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Abemaciclib
CID 46220502
2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Glu-P 1
CID 49971
Miransertib
CID 53262401
6-(4-((4-Ethyl-1-piperazinyl)methyl)phenyl)-N-((1R)-1-phenylethyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 10297043
PF-4708671
CID 51371303
Rolodine
CID 5359646
3-(Imidazo(1,2-a)pyrimidin-2-yl)aniline
CID 1477845
7-(1-Ethyl-propyl)-7H-pyrrolo-[3,2-F]quinazoline-1,3-diamine
CID 1881
CP-154526
CID 5311055
Stk16-IN-1
CID 58525066
7-benzyl-5,6-dimethyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 3000181

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).