4-(chloromethyl)-2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine

C16H26ClN3 — CID 83062508

IUPAC4-(chloromethyl)-2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine
SMILESCCCC1CCCCN1c1cnc(C(C)C)nc1CCl
InChIInChI=1S/C16H26ClN3/c1-4-7-13-8-5-6-9-20(13)15-11-18-16(12(2)3)19-14(15)10-17/h11-13H,4-10H2,1-3H3
InChIKeyXYUQMFZBUCAWJM-UHFFFAOYSA-N
MW295.86 g/mol
LogP4.50
Rot. Bonds5

About 4-(chloromethyl)-2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine

4-(chloromethyl)-2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine (PubChem CID 83062508) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is 4-(chloromethyl)-2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(chloromethyl)-2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine
PubChem CID83062508
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC Name4-(chloromethyl)-2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine
SMILESCCCC1CCCCN1c1cnc(C(C)C)nc1CCl
InChIInChI=1S/C16H26ClN3/c1-4-7-13-8-5-6-9-20(13)15-11-18-16(12(2)3)19-14(15)10-17/h11-13H,4-10H2,1-3H3
InChIKeyXYUQMFZBUCAWJM-UHFFFAOYSA-N
XLogP4.50
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 83044088
1-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]azocane
CID 62088333
4-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 62086379
4-(chloromethyl)-5-(4-ethoxypiperidin-1-yl)-2-propan-2-ylpyrimidine
CID 62088336
4-(chloromethyl)-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidine
CID 62086914
2-(chloromethyl)-6-(2-propylpiperidin-1-yl)pyrazine
CID 83062274
5-iodo-2-(2-propylpiperidin-1-yl)pyrimidine
CID 104844386
5-bromo-2-chloro-4-(2-propylpiperidin-1-yl)pyrimidine
CID 83056222
4-(chloromethyl)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine
CID 63635722
4-(chloromethyl)-5-(4,5-dimethylimidazol-1-yl)-2-propan-2-ylpyrimidine
CID 55064359
2-bromo-6-(2-propylpiperidin-1-yl)pyridine
CID 83056141
4-(chloromethyl)-N-cyclohexyl-N-methyl-2-propan-2-ylpyrimidin-5-amine
CID 62087436

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine?
The IUPAC name of 4-(chloromethyl)-2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine (CID 83062508) is 4-(chloromethyl)-2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-(chloromethyl)-2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-(chloromethyl)-2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine is CCCC1CCCCN1c1cnc(C(C)C)nc1CCl.
What is the InChIKey of 4-(chloromethyl)-2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine?
The InChIKey is XYUQMFZBUCAWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-4-7-13-8-5-6-9-20(13)15-11-18-16(12(2)3)19-14(15)10-17/h11-13H,4-10H2,1-3H3.
What are the key properties of 4-(chloromethyl)-2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine?
4-(chloromethyl)-2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine has a molecular weight of 295.86 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 83062508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).