[2-(2-methoxyethylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone

C12H18N4O3 — CID 109299603

IUPAC[2-(2-methoxyethylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCOCCNc1nccc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C12H18N4O3/c1-18-7-4-14-12-13-3-2-10(15-12)11(17)16-5-8-19-9-6-16/h2-3H,4-9H2,1H3,(H,13,14,15)
InChIKeyISSUUDCLOVLCKD-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.01
Rot. Bonds5

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

[2-(2-methoxyethylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 109299603) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone
PubChem CID109299603
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name[2-(2-methoxyethylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCOCCNc1nccc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C12H18N4O3/c1-18-7-4-14-12-13-3-2-10(15-12)11(17)16-5-8-19-9-6-16/h2-3H,4-9H2,1H3,(H,13,14,15)
InChIKeyISSUUDCLOVLCKD-UHFFFAOYSA-N
XLogP0.01
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-(2-methoxyethylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-ethylpiperazin-1-yl)-[2-(2-methoxyethylamino)pyrimidin-4-yl]methanone
CID 109299609
[2-[2-(2-methoxyphenyl)ethylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300546
[4-(2-methoxyethylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109205842
[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300535
4-[2-(2-morpholin-4-ylethylamino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109301412
[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109301449
piperidin-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone
CID 109294729
N-cyclopropyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109295724
azepan-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone
CID 109294810
[2-(3-bromo-4-methylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300629
[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300640
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299759

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(2-methoxyethylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone (CID 109299603) is [2-(2-methoxyethylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(2-methoxyethylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(2-methoxyethylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone is COCCNc1nccc(C(=O)N2CCOCC2)n1.
What is the InChIKey of [2-(2-methoxyethylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is ISSUUDCLOVLCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-18-7-4-14-12-13-3-2-10(15-12)11(17)16-5-8-19-9-6-16/h2-3H,4-9H2,1H3,(H,13,14,15).
What are the key properties of [2-(2-methoxyethylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone?
[2-(2-methoxyethylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 266.30 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109299603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).