N-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-5-amine

C18H16N6 — CID 66971142

IUPACN-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-5-amine
SMILESCN(c1cncnc1)c1ccc(Cc2c[nH]c3ncccc23)cn1
InChIInChI=1S/C18H16N6/c1-24(15-10-19-12-20-11-15)17-5-4-13(8-22-17)7-14-9-23-18-16(14)3-2-6-21-18/h2-6,8-12H,7H2,1H3,(H,21,23)
InChIKeyBANYALFMHJNYLI-UHFFFAOYSA-N
MW316.37 g/mol
LogP3.11
Rot. Bonds4

About N-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-5-amine

N-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-5-amine (PubChem CID 66971142) has the molecular formula C18H16N6 and a molecular weight of 316.37 g/mol. Its IUPAC name is N-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-5-amine.

Molecular Properties

Compound NameN-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-5-amine
PubChem CID66971142
Molecular FormulaC18H16N6
Molecular Weight316.37 g/mol
Exact Mass316.14
IUPAC NameN-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-5-amine
SMILESCN(c1cncnc1)c1ccc(Cc2c[nH]c3ncccc23)cn1
InChIInChI=1S/C18H16N6/c1-24(15-10-19-12-20-11-15)17-5-4-13(8-22-17)7-14-9-23-18-16(14)3-2-6-21-18/h2-6,8-12H,7H2,1H3,(H,21,23)
InChIKeyBANYALFMHJNYLI-UHFFFAOYSA-N
XLogP3.11
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-5-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-5-amine?
The IUPAC name of N-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-5-amine (CID 66971142) is N-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-5-amine.
What is the SMILES notation for N-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-5-amine?
The canonical SMILES for N-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-5-amine is CN(c1cncnc1)c1ccc(Cc2c[nH]c3ncccc23)cn1.
What is the InChIKey of N-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-5-amine?
The InChIKey is BANYALFMHJNYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6/c1-24(15-10-19-12-20-11-15)17-5-4-13(8-22-17)7-14-9-23-18-16(14)3-2-6-21-18/h2-6,8-12H,7H2,1H3,(H,21,23).
What are the key properties of N-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-5-amine?
N-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-5-amine has a molecular weight of 316.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-5-amine is sourced from PubChem (CID 66971142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).