6-ethyl-5-fluoro-N-(2-methylpentan-3-yl)pyrimidin-4-amine

C12H20FN3 — CID 103879965

IUPAC6-ethyl-5-fluoro-N-(2-methylpentan-3-yl)pyrimidin-4-amine
SMILESCCc1ncnc(NC(CC)C(C)C)c1F
InChIInChI=1S/C12H20FN3/c1-5-9(8(3)4)16-12-11(13)10(6-2)14-7-15-12/h7-9H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyUWLZHACYYQQFGT-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.02
Rot. Bonds5

About 6-ethyl-5-fluoro-N-(2-methylpentan-3-yl)pyrimidin-4-amine

6-ethyl-5-fluoro-N-(2-methylpentan-3-yl)pyrimidin-4-amine (PubChem CID 103879965) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-(2-methylpentan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-(2-methylpentan-3-yl)pyrimidin-4-amine
PubChem CID103879965
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC Name6-ethyl-5-fluoro-N-(2-methylpentan-3-yl)pyrimidin-4-amine
SMILESCCc1ncnc(NC(CC)C(C)C)c1F
InChIInChI=1S/C12H20FN3/c1-5-9(8(3)4)16-12-11(13)10(6-2)14-7-15-12/h7-9H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyUWLZHACYYQQFGT-UHFFFAOYSA-N
XLogP3.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-ethyl-5-fluoro-N-(2-methylpentan-3-yl)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-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pentan-1-ol
CID 103880365
2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]butan-1-ol
CID 103867388
(2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoic acid
CID 120964282
1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methylbutan-2-ol
CID 103880216
6-ethyl-5-fluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 113344408
N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide
CID 113344286
5-ethyl-6-hydrazinyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine
CID 80897613
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 103879939
6-ethyl-5-fluoro-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104577121
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-ethyl-5-fluoropyrimidin-4-amine
CID 133419353
6-ethyl-5-fluoro-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine
CID 131939242
6-ethyl-5-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 103879827

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-(2-methylpentan-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-(2-methylpentan-3-yl)pyrimidin-4-amine (CID 103879965) is 6-ethyl-5-fluoro-N-(2-methylpentan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-(2-methylpentan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-(2-methylpentan-3-yl)pyrimidin-4-amine is CCc1ncnc(NC(CC)C(C)C)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-(2-methylpentan-3-yl)pyrimidin-4-amine?
The InChIKey is UWLZHACYYQQFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3/c1-5-9(8(3)4)16-12-11(13)10(6-2)14-7-15-12/h7-9H,5-6H2,1-4H3,(H,14,15,16).
What are the key properties of 6-ethyl-5-fluoro-N-(2-methylpentan-3-yl)pyrimidin-4-amine?
6-ethyl-5-fluoro-N-(2-methylpentan-3-yl)pyrimidin-4-amine has a molecular weight of 225.31 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-(2-methylpentan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 103879965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).