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

C13H20N4O3 — CID 75538798

IUPAC[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCOCCNc1cc(C(=O)N2CCOCC2)nc(C)n1
InChIInChI=1S/C13H20N4O3/c1-10-15-11(9-12(16-10)14-3-6-19-2)13(18)17-4-7-20-8-5-17/h9H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyWZTWXQILAQTGLP-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.32
Rot. Bonds5

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

[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 75538798) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is [6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
PubChem CID75538798
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCOCCNc1cc(C(=O)N2CCOCC2)nc(C)n1
InChIInChI=1S/C13H20N4O3/c1-10-15-11(9-12(16-10)14-3-6-19-2)13(18)17-4-7-20-8-5-17/h9H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyWZTWXQILAQTGLP-UHFFFAOYSA-N
XLogP0.32
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
CID 91667431
2-chloro-N-(cyclopropylmethyl)-6-morpholinopyrimidine-4-carboxamide
CID 145998144
N-(3-ethoxypropyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 71688584
N-(3-ethoxypropyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 71688607
[2-Methyl-6-(propylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 75538768
1-[2-Methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 75538833
Ethyl 1-[2-methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 75538838
N-(2-methoxyethyl)-6-methyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide
CID 95825823
6-(dimethylamino)-N-ethyl-2-methoxypyrimidine-4-carboxamide
CID 122180008
N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 162650117
2-[2-(cyclohexylmethyl)piperidin-1-yl]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 162661087
4-(2,6-Dichloropyrimidine-4-carbonyl)morpholine
CID 155973292

Frequently Asked Questions

What is the IUPAC name of [6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone (CID 75538798) is [6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone is COCCNc1cc(C(=O)N2CCOCC2)nc(C)n1.
What is the InChIKey of [6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is WZTWXQILAQTGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-10-15-11(9-12(16-10)14-3-6-19-2)13(18)17-4-7-20-8-5-17/h9H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of [6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 280.33 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 75538798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).