6-ethyl-5-fluoro-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine

C11H18FN3O — CID 104577121

IUPAC6-ethyl-5-fluoro-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
SMILESCCc1ncnc(NCCOC(C)C)c1F
InChIInChI=1S/C11H18FN3O/c1-4-9-10(12)11(15-7-14-9)13-5-6-16-8(2)3/h7-8H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyGNSUACAPHOOFKW-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.02
Rot. Bonds6

About 6-ethyl-5-fluoro-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine

6-ethyl-5-fluoro-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine (PubChem CID 104577121) has the molecular formula C11H18FN3O and a molecular weight of 227.28 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
PubChem CID104577121
Molecular FormulaC11H18FN3O
Molecular Weight227.28 g/mol
Exact Mass227.14
IUPAC Name6-ethyl-5-fluoro-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
SMILESCCc1ncnc(NCCOC(C)C)c1F
InChIInChI=1S/C11H18FN3O/c1-4-9-10(12)11(15-7-14-9)13-5-6-16-8(2)3/h7-8H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyGNSUACAPHOOFKW-UHFFFAOYSA-N
XLogP2.02
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-5-fluoro-N-(3-propoxypropyl)pyrimidin-4-amine
CID 114045642
1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methylbutan-2-ol
CID 103880216
N-(6-ethyl-5-fluoropyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 113344333
6-ethyl-5-fluoro-N-hex-5-ynylpyrimidin-4-amine
CID 103880373
6-ethyl-5-fluoro-N-(2-pyrazol-1-ylethyl)pyrimidin-4-amine
CID 103867495
6-ethyl-5-fluoro-N-(2-methylpentan-3-yl)pyrimidin-4-amine
CID 103879965
tert-butyl N-[3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propyl]carbamate
CID 103880078
4-N-(2-propan-2-yloxyethyl)-5-propylpyrimidine-4,6-diamine
CID 113450992
6-ethyl-5-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 103879827
3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)aniline
CID 62809594
4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-phenylbutan-2-ol
CID 133495880
6-ethyl-5-fluoro-N-[2-(3-methylimidazol-4-yl)ethyl]pyrimidin-4-amine
CID 86789293

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine (CID 104577121) is 6-ethyl-5-fluoro-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine is CCc1ncnc(NCCOC(C)C)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine?
The InChIKey is GNSUACAPHOOFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O/c1-4-9-10(12)11(15-7-14-9)13-5-6-16-8(2)3/h7-8H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of 6-ethyl-5-fluoro-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine?
6-ethyl-5-fluoro-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine has a molecular weight of 227.28 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 104577121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).