5-[7-[(dimethylamino)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine

C17H22N8O — CID 122184950

IUPAC5-[7-[(dimethylamino)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine
SMILESCN(C)Cc1ccc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nn12
InChIInChI=1S/C17H22N8O/c1-23(2)11-13-3-4-14-16(24-5-7-26-8-6-24)21-15(22-25(13)14)12-9-19-17(18)20-10-12/h3-4,9-10H,5-8,11H2,1-2H3,(H2,18,19,20)
InChIKeyWSWCLXVJLKSWDU-UHFFFAOYSA-N
MW354.42 g/mol
LogP0.67
Rot. Bonds4

About 5-[7-[(dimethylamino)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine

5-[7-[(dimethylamino)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine (PubChem CID 122184950) has the molecular formula C17H22N8O and a molecular weight of 354.42 g/mol. Its IUPAC name is 5-[7-[(dimethylamino)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[7-[(dimethylamino)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine
PubChem CID122184950
Molecular FormulaC17H22N8O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC Name5-[7-[(dimethylamino)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine
SMILESCN(C)Cc1ccc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nn12
InChIInChI=1S/C17H22N8O/c1-23(2)11-13-3-4-14-16(24-5-7-26-8-6-24)21-15(22-25(13)14)12-9-19-17(18)20-10-12/h3-4,9-10H,5-8,11H2,1-2H3,(H2,18,19,20)
InChIKeyWSWCLXVJLKSWDU-UHFFFAOYSA-N
XLogP0.67
TPSA97.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[7-[(dimethylamino)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]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

Frequently Asked Questions

What is the IUPAC name of 5-[7-[(dimethylamino)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-[7-[(dimethylamino)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine (CID 122184950) is 5-[7-[(dimethylamino)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[7-[(dimethylamino)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[7-[(dimethylamino)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine is CN(C)Cc1ccc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nn12.
What is the InChIKey of 5-[7-[(dimethylamino)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine?
The InChIKey is WSWCLXVJLKSWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O/c1-23(2)11-13-3-4-14-16(24-5-7-26-8-6-24)21-15(22-25(13)14)12-9-19-17(18)20-10-12/h3-4,9-10H,5-8,11H2,1-2H3,(H2,18,19,20).
What are the key properties of 5-[7-[(dimethylamino)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine?
5-[7-[(dimethylamino)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine has a molecular weight of 354.42 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[(dimethylamino)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 122184950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).