4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyrimidin-2-amine

C20H29N5O — CID 112886226

IUPAC4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyrimidin-2-amine
SMILESCOCCCNc1nccc(N2CCN(c3cccc(C)c3C)CC2)n1
InChIInChI=1S/C20H29N5O/c1-16-6-4-7-18(17(16)2)24-11-13-25(14-12-24)19-8-10-22-20(23-19)21-9-5-15-26-3/h4,6-8,10H,5,9,11-15H2,1-3H3,(H,21,22,23)
InChIKeyMTGQXRWOLLFOSE-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.87
Rot. Bonds7

About 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyrimidin-2-amine

4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyrimidin-2-amine (PubChem CID 112886226) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyrimidin-2-amine
PubChem CID112886226
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyrimidin-2-amine
SMILESCOCCCNc1nccc(N2CCN(c3cccc(C)c3C)CC2)n1
InChIInChI=1S/C20H29N5O/c1-16-6-4-7-18(17(16)2)24-11-13-25(14-12-24)19-8-10-22-20(23-19)21-9-5-15-26-3/h4,6-8,10H,5,9,11-15H2,1-3H3,(H,21,22,23)
InChIKeyMTGQXRWOLLFOSE-UHFFFAOYSA-N
XLogP2.87
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyrimidin-4-amine
CID 112856883
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167023
N-cyclopropyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112882393
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-2-amine
CID 112898304
N-(2,6-difluorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112898325
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)pyrimidin-2-amine
CID 112886203
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine
CID 112898327
4-(2,3-dimethylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 108988126
N-(2-methoxyethyl)-4-piperazin-1-ylpyrimidin-2-amine
CID 67087546
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)-5-nitropyrimidin-4-amine
CID 22526581
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(2-methoxyethylamino)pyrimidin-5-yl]methanone
CID 109251538
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)pyridazin-3-yl]methanone
CID 109114134

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyrimidin-2-amine?
The IUPAC name of 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyrimidin-2-amine (CID 112886226) is 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyrimidin-2-amine is COCCCNc1nccc(N2CCN(c3cccc(C)c3C)CC2)n1.
What is the InChIKey of 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyrimidin-2-amine?
The InChIKey is MTGQXRWOLLFOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-16-6-4-7-18(17(16)2)24-11-13-25(14-12-24)19-8-10-22-20(23-19)21-9-5-15-26-3/h4,6-8,10H,5,9,11-15H2,1-3H3,(H,21,22,23).
What are the key properties of 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyrimidin-2-amine?
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyrimidin-2-amine has a molecular weight of 355.49 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyrimidin-2-amine is sourced from PubChem (CID 112886226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).