N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyacetamide

C20H27N5O2 — CID 122326280

IUPACN-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyacetamide
SMILESCc1nc(NCCNC(=O)COc2ccccc2)cc(N2CCCCC2)n1
InChIInChI=1S/C20H27N5O2/c1-16-23-18(14-19(24-16)25-12-6-3-7-13-25)21-10-11-22-20(26)15-27-17-8-4-2-5-9-17/h2,4-5,8-9,14H,3,6-7,10-13,15H2,1H3,(H,22,26)(H,21,23,24)
InChIKeyHNZKMLPIIVTCKK-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.38
Rot. Bonds8

About N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyacetamide

N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyacetamide (PubChem CID 122326280) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyacetamide
PubChem CID122326280
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyacetamide
SMILESCc1nc(NCCNC(=O)COc2ccccc2)cc(N2CCCCC2)n1
InChIInChI=1S/C20H27N5O2/c1-16-23-18(14-19(24-16)25-12-6-3-7-13-25)21-10-11-22-20(26)15-27-17-8-4-2-5-9-17/h2,4-5,8-9,14H,3,6-7,10-13,15H2,1H3,(H,22,26)(H,21,23,24)
InChIKeyHNZKMLPIIVTCKK-UHFFFAOYSA-N
XLogP2.38
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxypropanamide
CID 122326297
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 121074644
N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]-2-pyridin-3-yloxyacetamide
CID 90492056
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-phenylmethoxyacetamide
CID 122294181
1-(2-methylphenyl)-3-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]urea
CID 122326346
2-iodo-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122326666
1-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-3-phenylpyrazole-5-carboxamide
CID 122293843
1-(2-methoxyphenyl)-3-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]urea
CID 122326342
2-(4-methoxyphenoxy)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
CID 90492141
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclohexanecarboxamide
CID 50947846
1-(4-methoxyphenyl)-3-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]urea
CID 50944516
N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-phenoxyacetamide
CID 122315365

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyacetamide (CID 122326280) is N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyacetamide is Cc1nc(NCCNC(=O)COc2ccccc2)cc(N2CCCCC2)n1.
What is the InChIKey of N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyacetamide?
The InChIKey is HNZKMLPIIVTCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-16-23-18(14-19(24-16)25-12-6-3-7-13-25)21-10-11-22-20(26)15-27-17-8-4-2-5-9-17/h2,4-5,8-9,14H,3,6-7,10-13,15H2,1H3,(H,22,26)(H,21,23,24).
What are the key properties of N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyacetamide?
N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyacetamide has a molecular weight of 369.47 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 122326280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).