6-ethyl-5-fluoro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine

C13H21FN4O — CID 103879716

IUPAC6-ethyl-5-fluoro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
SMILESCCc1ncnc(NCCCN2CCOCC2)c1F
InChIInChI=1S/C13H21FN4O/c1-2-11-12(14)13(17-10-16-11)15-4-3-5-18-6-8-19-9-7-18/h10H,2-9H2,1H3,(H,15,16,17)
InChIKeyXIHMCBGDFANXAE-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.31
Rot. Bonds6

About 6-ethyl-5-fluoro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine

6-ethyl-5-fluoro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine (PubChem CID 103879716) has the molecular formula C13H21FN4O and a molecular weight of 268.34 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
PubChem CID103879716
Molecular FormulaC13H21FN4O
Molecular Weight268.34 g/mol
Exact Mass268.17
IUPAC Name6-ethyl-5-fluoro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
SMILESCCc1ncnc(NCCCN2CCOCC2)c1F
InChIInChI=1S/C13H21FN4O/c1-2-11-12(14)13(17-10-16-11)15-4-3-5-18-6-8-19-9-7-18/h10H,2-9H2,1H3,(H,15,16,17)
InChIKeyXIHMCBGDFANXAE-UHFFFAOYSA-N
XLogP1.31
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-ethyl-5-fluoro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine 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-N-butyl-6-methyl-5-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 135271014
4-N-butyl-5-[3-[2-methoxyethyl(methyl)amino]propyl]-6-methylpyrimidine-2,4-diamine
CID 135271018
4-N-butyl-6-methyl-5-(4-morpholin-4-ylbutyl)pyrimidine-2,4-diamine
CID 135271039
4-(5H,6H,7H,8H-pyrido(4,3-d)pyrimidin-4-yl)morpholine
CID 50986271
6-ethyl-2-(4-morpholinyl)-N-(3,3,3-trifluoropropyl)-4-pyrimidinamine
CID 39767354
N-ethyl-N-methyl-2-morpholin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 46050203
N-(tert-butyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 50977646
1-[(6-Ethylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 72858727
6-Ethyl-N-{3-[(1-methylpiperidin-4-YL)oxy]propyl}pyrimidin-4-amine
CID 72927275
6-ethyl-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 84592103
4-(6-Ethyl-5-fluoropyrimidin-4-yl)morpholine-3-carboxamide
CID 84597644
2-[4-(6-Ethyl-5-fluoropyrimidin-4-yl)morpholin-3-yl]ethanol
CID 84598943

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine (CID 103879716) is 6-ethyl-5-fluoro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine is CCc1ncnc(NCCCN2CCOCC2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The InChIKey is XIHMCBGDFANXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4O/c1-2-11-12(14)13(17-10-16-11)15-4-3-5-18-6-8-19-9-7-18/h10H,2-9H2,1H3,(H,15,16,17).
What are the key properties of 6-ethyl-5-fluoro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
6-ethyl-5-fluoro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine has a molecular weight of 268.34 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 103879716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).