N-(2,5-dimethylphenyl)-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine

C22H26N6 — CID 112923847

IUPACN-(2,5-dimethylphenyl)-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
SMILESCc1ccc(C)c(Nc2nc(C)cc(N3CCN(c4ccccn4)CC3)n2)c1
InChIInChI=1S/C22H26N6/c1-16-7-8-17(2)19(14-16)25-22-24-18(3)15-21(26-22)28-12-10-27(11-13-28)20-6-4-5-9-23-20/h4-9,14-15H,10-13H2,1-3H3,(H,24,25,26)
InChIKeyAFASMYLLVCDBBP-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.87
Rot. Bonds4

About N-(2,5-dimethylphenyl)-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine

N-(2,5-dimethylphenyl)-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 112923847) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID112923847
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC NameN-(2,5-dimethylphenyl)-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
SMILESCc1ccc(C)c(Nc2nc(C)cc(N3CCN(c4ccccn4)CC3)n2)c1
InChIInChI=1S/C22H26N6/c1-16-7-8-17(2)19(14-16)25-22-24-18(3)15-21(26-22)28-12-10-27(11-13-28)20-6-4-5-9-23-20/h4-9,14-15H,10-13H2,1-3H3,(H,24,25,26)
InChIKeyAFASMYLLVCDBBP-UHFFFAOYSA-N
XLogP3.87
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909317
N-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 112914202
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,5-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 112920337
N-cyclopropyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112907588
N-butyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112908336
4-methyl-N-(pyridin-2-ylmethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112919280
N-cycloheptyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112923831
4-[6-methyl-2-(2-methylanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112914538
4-methyl-N-(2-methylphenyl)-6-morpholin-4-ylpyrimidin-2-amine
CID 112912131
N-(3,4-dimethylphenyl)-4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112923972
N-(5-chloro-2-methylphenyl)-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112923927
2-methyl-N-(2-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875520

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(2,5-dimethylphenyl)-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine (CID 112923847) is N-(2,5-dimethylphenyl)-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine is Cc1ccc(C)c(Nc2nc(C)cc(N3CCN(c4ccccn4)CC3)n2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is AFASMYLLVCDBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-16-7-8-17(2)19(14-16)25-22-24-18(3)15-21(26-22)28-12-10-27(11-13-28)20-6-4-5-9-23-20/h4-9,14-15H,10-13H2,1-3H3,(H,24,25,26).
What are the key properties of N-(2,5-dimethylphenyl)-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
N-(2,5-dimethylphenyl)-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 374.49 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112923847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).