N-(2,5-dimethylpyrrol-1-yl)-4-methylpyridin-2-amine

C12H15N3 — CID 79106888

IUPACN-(2,5-dimethylpyrrol-1-yl)-4-methylpyridin-2-amine
SMILESCc1ccnc(Nn2c(C)ccc2C)c1
InChIInChI=1S/C12H15N3/c1-9-6-7-13-12(8-9)14-15-10(2)4-5-11(15)3/h4-8H,1-3H3,(H,13,14)
InChIKeyVDXYGEYIIAUJBB-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.68
Rot. Bonds2

About N-(2,5-dimethylpyrrol-1-yl)-4-methylpyridin-2-amine

N-(2,5-dimethylpyrrol-1-yl)-4-methylpyridin-2-amine (PubChem CID 79106888) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(2,5-dimethylpyrrol-1-yl)-4-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(2,5-dimethylpyrrol-1-yl)-4-methylpyridin-2-amine
PubChem CID79106888
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC NameN-(2,5-dimethylpyrrol-1-yl)-4-methylpyridin-2-amine
SMILESCc1ccnc(Nn2c(C)ccc2C)c1
InChIInChI=1S/C12H15N3/c1-9-6-7-13-12(8-9)14-15-10(2)4-5-11(15)3/h4-8H,1-3H3,(H,13,14)
InChIKeyVDXYGEYIIAUJBB-UHFFFAOYSA-N
XLogP2.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-4-methylpyridin-2-amine?
The IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-4-methylpyridin-2-amine (CID 79106888) is N-(2,5-dimethylpyrrol-1-yl)-4-methylpyridin-2-amine.
What is the SMILES notation for N-(2,5-dimethylpyrrol-1-yl)-4-methylpyridin-2-amine?
The canonical SMILES for N-(2,5-dimethylpyrrol-1-yl)-4-methylpyridin-2-amine is Cc1ccnc(Nn2c(C)ccc2C)c1.
What is the InChIKey of N-(2,5-dimethylpyrrol-1-yl)-4-methylpyridin-2-amine?
The InChIKey is VDXYGEYIIAUJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9-6-7-13-12(8-9)14-15-10(2)4-5-11(15)3/h4-8H,1-3H3,(H,13,14).
What are the key properties of N-(2,5-dimethylpyrrol-1-yl)-4-methylpyridin-2-amine?
N-(2,5-dimethylpyrrol-1-yl)-4-methylpyridin-2-amine has a molecular weight of 201.27 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrrol-1-yl)-4-methylpyridin-2-amine is sourced from PubChem (CID 79106888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).