1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine

C22H22N6 — CID 45187858

IUPAC1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine
SMILESCc1nc(-c2ccncc2)ncc1C(C)NCc1cccn1-c1cccnc1
InChIInChI=1S/C22H22N6/c1-16(21-15-26-22(27-17(21)2)18-7-10-23-11-8-18)25-14-20-6-4-12-28(20)19-5-3-9-24-13-19/h3-13,15-16,25H,14H2,1-2H3
InChIKeyWCZBDXQTGSBZAQ-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.88
Rot. Bonds6

About 1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine

1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine (PubChem CID 45187858) has the molecular formula C22H22N6 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine
PubChem CID45187858
Molecular FormulaC22H22N6
Molecular Weight370.46 g/mol
Exact Mass370.19
IUPAC Name1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine
SMILESCc1nc(-c2ccncc2)ncc1C(C)NCc1cccn1-c1cccnc1
InChIInChI=1S/C22H22N6/c1-16(21-15-26-22(27-17(21)2)18-7-10-23-11-8-18)25-14-20-6-4-12-28(20)19-5-3-9-24-13-19/h3-13,15-16,25H,14H2,1-2H3
InChIKeyWCZBDXQTGSBZAQ-UHFFFAOYSA-N
XLogP3.88
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine 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

1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine
CID 45214362
N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]propan-1-amine
CID 62771736
(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 29153348
4-methyl-5-propan-2-yl-2-pyridin-4-ylpyrimidine
CID 130210346
N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1-phenylmethanesulfonamide
CID 72863472
N-[(1-phenylpyrrol-2-yl)methyl]propan-2-amine
CID 46784890
1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]ethanamine
CID 45219969
N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 66411298
2-methyl-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 72895080
N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-methylsulfanylpropanamide
CID 26398298
5-(1-chloroethyl)-4-methyl-2-pyridin-3-ylpyrimidine
CID 62771047
3-(2-pyridin-4-ylpyrrol-1-yl)pyridine
CID 100914609

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine (CID 45187858) is 1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine is Cc1nc(-c2ccncc2)ncc1C(C)NCc1cccn1-c1cccnc1.
What is the InChIKey of 1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine?
The InChIKey is WCZBDXQTGSBZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6/c1-16(21-15-26-22(27-17(21)2)18-7-10-23-11-8-18)25-14-20-6-4-12-28(20)19-5-3-9-24-13-19/h3-13,15-16,25H,14H2,1-2H3.
What are the key properties of 1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine?
1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine has a molecular weight of 370.46 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine is sourced from PubChem (CID 45187858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).