[2-(2-methoxyethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone

C13H20N4O2 — CID 109249905

IUPAC[2-(2-methoxyethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone
SMILESCOCCNc1ncc(C(=O)N2CCCCC2)cn1
InChIInChI=1S/C13H20N4O2/c1-19-8-5-14-13-15-9-11(10-16-13)12(18)17-6-3-2-4-7-17/h9-10H,2-8H2,1H3,(H,14,15,16)
InChIKeyVWBFGJMCWDISBG-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.16
Rot. Bonds5

About [2-(2-methoxyethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone

[2-(2-methoxyethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone (PubChem CID 109249905) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone
PubChem CID109249905
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name[2-(2-methoxyethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone
SMILESCOCCNc1ncc(C(=O)N2CCCCC2)cn1
InChIInChI=1S/C13H20N4O2/c1-19-8-5-14-13-15-9-11(10-16-13)12(18)17-6-3-2-4-7-17/h9-10H,2-8H2,1H3,(H,14,15,16)
InChIKeyVWBFGJMCWDISBG-UHFFFAOYSA-N
XLogP1.16
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-methoxyethylamino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109251557
[4-(3-chlorophenyl)piperazin-1-yl]-[2-(2-methoxyethylamino)pyrimidin-5-yl]methanone
CID 109251539
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(2-methoxyethylamino)pyrimidin-5-yl]methanone
CID 109251538
N-cyclohexyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109250278
[2-(2-methylpropylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109248626
[4-(2-methoxyethyl)piperazin-1-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone
CID 72900903
azepan-1-yl-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone
CID 109257044
N-butyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109248053
[2-(4-methoxyanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249327
[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249233
[5-(3-methoxypropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182537
N-(2-methoxyethyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841382

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(2-methoxyethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone (CID 109249905) is [2-(2-methoxyethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(2-methoxyethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(2-methoxyethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone is COCCNc1ncc(C(=O)N2CCCCC2)cn1.
What is the InChIKey of [2-(2-methoxyethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone?
The InChIKey is VWBFGJMCWDISBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-19-8-5-14-13-15-9-11(10-16-13)12(18)17-6-3-2-4-7-17/h9-10H,2-8H2,1H3,(H,14,15,16).
What are the key properties of [2-(2-methoxyethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone?
[2-(2-methoxyethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone has a molecular weight of 264.33 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109249905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).