[6-(butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone

C14H22N4O2 — CID 75538795

IUPAC[6-(butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCCCCNc1cc(C(=O)N2CCOCC2)nc(C)n1
InChIInChI=1S/C14H22N4O2/c1-3-4-5-15-13-10-12(16-11(2)17-13)14(19)18-6-8-20-9-7-18/h10H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyZFGMFUSSOOULKX-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.47
Rot. Bonds5

About [6-(butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone

[6-(butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 75538795) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [6-(butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
PubChem CID75538795
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name[6-(butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCCCCNc1cc(C(=O)N2CCOCC2)nc(C)n1
InChIInChI=1S/C14H22N4O2/c1-3-4-5-15-13-10-12(16-11(2)17-13)14(19)18-6-8-20-9-7-18/h10H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyZFGMFUSSOOULKX-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
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

[6-(3-ethoxypropylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 75538800
[6-(tert-butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365559
[6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365533
[6-(butylamino)-2-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109361604
[2-methyl-6-(pentylamino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109373257
[2-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 75538802
[6-[butyl(methyl)amino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365564
morpholin-4-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone
CID 112851244
[6-(butylamino)-2-methylpyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109361605
(4-ethylpiperazin-1-yl)-[6-(3-methoxypropylamino)-2-methylpyrimidin-4-yl]methanone
CID 109364994
ethyl 4-[6-(3-methoxypropylamino)-2-methylpyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109365034
[6-(butylamino)-2-methylpyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109361609

Frequently Asked Questions

What is the IUPAC name of [6-(butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-(butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone (CID 75538795) is [6-(butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone is CCCCNc1cc(C(=O)N2CCOCC2)nc(C)n1.
What is the InChIKey of [6-(butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is ZFGMFUSSOOULKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-4-5-15-13-10-12(16-11(2)17-13)14(19)18-6-8-20-9-7-18/h10H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of [6-(butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
[6-(butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 278.36 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 75538795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).