N-(2-cyclopropyl-6-pyridin-2-ylpyrimidin-4-yl)-4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

C22H27N9 — CID 70816165

IUPACN-(2-cyclopropyl-6-pyridin-2-ylpyrimidin-4-yl)-4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCCc1nc(Nc2cc(-c3ccccn3)nc(C3CC3)n2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C22H27N9/c1-3-18-26-21(29-22(28-18)31-12-10-30(2)11-13-31)27-19-14-17(16-6-4-5-9-23-16)24-20(25-19)15-7-8-15/h4-6,9,14-15H,3,7-8,10-13H2,1-2H3,(H,24,25,26,27,28,29)
InChIKeyVUZQWZJREWWSOF-UHFFFAOYSA-N
MW417.52 g/mol
LogP2.66
Rot. Bonds6

About N-(2-cyclopropyl-6-pyridin-2-ylpyrimidin-4-yl)-4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

N-(2-cyclopropyl-6-pyridin-2-ylpyrimidin-4-yl)-4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 70816165) has the molecular formula C22H27N9 and a molecular weight of 417.52 g/mol. Its IUPAC name is N-(2-cyclopropyl-6-pyridin-2-ylpyrimidin-4-yl)-4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2-cyclopropyl-6-pyridin-2-ylpyrimidin-4-yl)-4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID70816165
Molecular FormulaC22H27N9
Molecular Weight417.52 g/mol
Exact Mass417.24
IUPAC NameN-(2-cyclopropyl-6-pyridin-2-ylpyrimidin-4-yl)-4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCCc1nc(Nc2cc(-c3ccccn3)nc(C3CC3)n2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C22H27N9/c1-3-18-26-21(29-22(28-18)31-12-10-30(2)11-13-31)27-19-14-17(16-6-4-5-9-23-16)24-20(25-19)15-7-8-15/h4-6,9,14-15H,3,7-8,10-13H2,1-2H3,(H,24,25,26,27,28,29)
InChIKeyVUZQWZJREWWSOF-UHFFFAOYSA-N
XLogP2.66
TPSA95.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(2-cyclopropyl-6-pyridin-2-ylpyrimidin-4-yl)-4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-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 N-(2-cyclopropyl-6-pyridin-2-ylpyrimidin-4-yl)-4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-(2-cyclopropyl-6-pyridin-2-ylpyrimidin-4-yl)-4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 70816165) is N-(2-cyclopropyl-6-pyridin-2-ylpyrimidin-4-yl)-4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2-cyclopropyl-6-pyridin-2-ylpyrimidin-4-yl)-4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2-cyclopropyl-6-pyridin-2-ylpyrimidin-4-yl)-4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is CCc1nc(Nc2cc(-c3ccccn3)nc(C3CC3)n2)nc(N2CCN(C)CC2)n1.
What is the InChIKey of N-(2-cyclopropyl-6-pyridin-2-ylpyrimidin-4-yl)-4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is VUZQWZJREWWSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N9/c1-3-18-26-21(29-22(28-18)31-12-10-30(2)11-13-31)27-19-14-17(16-6-4-5-9-23-16)24-20(25-19)15-7-8-15/h4-6,9,14-15H,3,7-8,10-13H2,1-2H3,(H,24,25,26,27,28,29).
What are the key properties of N-(2-cyclopropyl-6-pyridin-2-ylpyrimidin-4-yl)-4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
N-(2-cyclopropyl-6-pyridin-2-ylpyrimidin-4-yl)-4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 417.52 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-6-pyridin-2-ylpyrimidin-4-yl)-4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 70816165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).