[2-(2-methoxyethylamino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone

C14H22N4O2 — CID 109251557

IUPAC[2-(2-methoxyethylamino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCOCCNc1ncc(C(=O)N2CCCC(C)C2)cn1
InChIInChI=1S/C14H22N4O2/c1-11-4-3-6-18(10-11)13(19)12-8-16-14(17-9-12)15-5-7-20-2/h8-9,11H,3-7,10H2,1-2H3,(H,15,16,17)
InChIKeyUPSFMGFIMWNATO-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.41
Rot. Bonds5

About [2-(2-methoxyethylamino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone

[2-(2-methoxyethylamino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109251557) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109251557
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name[2-(2-methoxyethylamino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCOCCNc1ncc(C(=O)N2CCCC(C)C2)cn1
InChIInChI=1S/C14H22N4O2/c1-11-4-3-6-18(10-11)13(19)12-8-16-14(17-9-12)15-5-7-20-2/h8-9,11H,3-7,10H2,1-2H3,(H,15,16,17)
InChIKeyUPSFMGFIMWNATO-UHFFFAOYSA-N
XLogP1.41
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.41
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]-piperidin-1-ylmethanone
CID 109249905
N-cyclohexyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109250278
[2-(2,6-diethylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264341
[5-(3-methoxypropylamino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109276272
[2-(4-chloroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 46226043
[6-(3-methoxypropylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 146153252
[2-(2-ethoxyanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264362
[2-[2-(4-methoxyphenoxy)ethylamino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109174945
[2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264337
[2-(ethylamino)pyrimidin-5-yl]-[(3R)-3-(phenoxymethyl)piperidin-1-yl]methanone
CID 97156064
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(2-methoxyethylamino)pyrimidin-5-yl]methanone
CID 109251538
[4-(3-chlorophenyl)piperazin-1-yl]-[2-(2-methoxyethylamino)pyrimidin-5-yl]methanone
CID 109251539

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(2-methoxyethylamino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone (CID 109251557) is [2-(2-methoxyethylamino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(2-methoxyethylamino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(2-methoxyethylamino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone is COCCNc1ncc(C(=O)N2CCCC(C)C2)cn1.
What is the InChIKey of [2-(2-methoxyethylamino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is UPSFMGFIMWNATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11-4-3-6-18(10-11)13(19)12-8-16-14(17-9-12)15-5-7-20-2/h8-9,11H,3-7,10H2,1-2H3,(H,15,16,17).
What are the key properties of [2-(2-methoxyethylamino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone?
[2-(2-methoxyethylamino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 278.36 g/mol, XLogP of 1.41, 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]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109251557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).