2-(2-chlorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)-5-methyl-6-piperazin-1-ylpyrimidin-4-amine

C21H26ClN7 — CID 142126982

IUPAC2-(2-chlorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)-5-methyl-6-piperazin-1-ylpyrimidin-4-amine
SMILESCCC1N=C(Nc2nc(-c3ccccc3Cl)nc(N3CCNCC3)c2C)N=C1C
InChIInChI=1S/C21H26ClN7/c1-4-17-14(3)24-21(25-17)28-18-13(2)20(29-11-9-23-10-12-29)27-19(26-18)15-7-5-6-8-16(15)22/h5-8,17,23H,4,9-12H2,1-3H3,(H,25,26,27,28)
InChIKeyKFFMTQZPBABZDO-UHFFFAOYSA-N
MW411.94 g/mol
LogP3.54
Rot. Bonds4

About 2-(2-chlorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)-5-methyl-6-piperazin-1-ylpyrimidin-4-amine

2-(2-chlorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)-5-methyl-6-piperazin-1-ylpyrimidin-4-amine (PubChem CID 142126982) has the molecular formula C21H26ClN7 and a molecular weight of 411.94 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)-5-methyl-6-piperazin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)-5-methyl-6-piperazin-1-ylpyrimidin-4-amine
PubChem CID142126982
Molecular FormulaC21H26ClN7
Molecular Weight411.94 g/mol
Exact Mass411.19
IUPAC Name2-(2-chlorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)-5-methyl-6-piperazin-1-ylpyrimidin-4-amine
SMILESCCC1N=C(Nc2nc(-c3ccccc3Cl)nc(N3CCNCC3)c2C)N=C1C
InChIInChI=1S/C21H26ClN7/c1-4-17-14(3)24-21(25-17)28-18-13(2)20(29-11-9-23-10-12-29)27-19(26-18)15-7-5-6-8-16(15)22/h5-8,17,23H,4,9-12H2,1-3H3,(H,25,26,27,28)
InChIKeyKFFMTQZPBABZDO-UHFFFAOYSA-N
XLogP3.54
TPSA77.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.94
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2-chlorophenyl)-5-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine;sulfur dioxide
CID 158445633
2-(2-chlorophenyl)-4-methyl-6-piperazin-1-ylpyrimidine
CID 82169345
2-amino-N'-[2-(2-chlorophenyl)-5-methyl-6-piperazin-1-ylpyrimidin-4-yl]benzenecarboximidamide
CID 142126740
2-ethyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine
CID 80983428
2-(2-chlorophenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 63560185
3-(2-chlorophenyl)-5-N-(3-ethyl-3H-isoindol-1-yl)-1,2,4-triazine-5,6-diamine
CID 142126715
2-(2-chlorophenyl)-4-pyrrolidin-1-ylquinazoline
CID 914453
2-cyclopropyl-5-methyl-6-piperazin-1-yl-N-propylpyrimidin-4-amine
CID 80984339
N'-[(E)-N'-[2-(2-chlorophenyl)-5-methyl-6-morpholin-4-ylpyrimidin-4-yl]carbamimidoyl]ethanimidamide
CID 142127059
2-(2-chlorophenyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472339
8-chloro-3-methyl-2-piperazin-1-ylquinoline
CID 84638749
4-(2-chlorophenyl)-5-piperazin-1-ylpyrimidin-2-amine
CID 117211243

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)-5-methyl-6-piperazin-1-ylpyrimidin-4-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)-5-methyl-6-piperazin-1-ylpyrimidin-4-amine (CID 142126982) is 2-(2-chlorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)-5-methyl-6-piperazin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)-5-methyl-6-piperazin-1-ylpyrimidin-4-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)-5-methyl-6-piperazin-1-ylpyrimidin-4-amine is CCC1N=C(Nc2nc(-c3ccccc3Cl)nc(N3CCNCC3)c2C)N=C1C.
What is the InChIKey of 2-(2-chlorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)-5-methyl-6-piperazin-1-ylpyrimidin-4-amine?
The InChIKey is KFFMTQZPBABZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN7/c1-4-17-14(3)24-21(25-17)28-18-13(2)20(29-11-9-23-10-12-29)27-19(26-18)15-7-5-6-8-16(15)22/h5-8,17,23H,4,9-12H2,1-3H3,(H,25,26,27,28).
What are the key properties of 2-(2-chlorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)-5-methyl-6-piperazin-1-ylpyrimidin-4-amine?
2-(2-chlorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)-5-methyl-6-piperazin-1-ylpyrimidin-4-amine has a molecular weight of 411.94 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)-5-methyl-6-piperazin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 142126982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).