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

C12H20FN3O — CID 114045642

IUPAC6-ethyl-5-fluoro-N-(3-propoxypropyl)pyrimidin-4-amine
SMILESCCCOCCCNc1ncnc(CC)c1F
InChIInChI=1S/C12H20FN3O/c1-3-7-17-8-5-6-14-12-11(13)10(4-2)15-9-16-12/h9H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyIMHKDJYQGVTAAK-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.41
Rot. Bonds8

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

6-ethyl-5-fluoro-N-(3-propoxypropyl)pyrimidin-4-amine (PubChem CID 114045642) has the molecular formula C12H20FN3O and a molecular weight of 241.31 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-(3-propoxypropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-(3-propoxypropyl)pyrimidin-4-amine
PubChem CID114045642
Molecular FormulaC12H20FN3O
Molecular Weight241.31 g/mol
Exact Mass241.16
IUPAC Name6-ethyl-5-fluoro-N-(3-propoxypropyl)pyrimidin-4-amine
SMILESCCCOCCCNc1ncnc(CC)c1F
InChIInChI=1S/C12H20FN3O/c1-3-7-17-8-5-6-14-12-11(13)10(4-2)15-9-16-12/h9H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyIMHKDJYQGVTAAK-UHFFFAOYSA-N
XLogP2.41
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.41
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-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104577121
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
tert-butyl N-[3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propyl]carbamate
CID 103880078
6-methoxy-5-methyl-N-(3-propoxypropyl)pyrimidin-4-amine
CID 82943748
4-N-(3-ethoxypropyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80771977
6-propan-2-yloxy-4-N-(3-propoxypropyl)pyrimidine-4,5-diamine
CID 82942129
6-ethyl-5-fluoro-N-(2-pyrazol-1-ylethyl)pyrimidin-4-amine
CID 103867495
6-ethyl-5-fluoro-N-[2-(oxolan-3-yl)ethyl]pyrimidin-4-amine
CID 113413503
6-ethyl-5-fluoro-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine
CID 103880378
3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122061059
4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-phenylbutan-2-ol
CID 133495880

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-(3-propoxypropyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-(3-propoxypropyl)pyrimidin-4-amine (CID 114045642) is 6-ethyl-5-fluoro-N-(3-propoxypropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-(3-propoxypropyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-(3-propoxypropyl)pyrimidin-4-amine is CCCOCCCNc1ncnc(CC)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-(3-propoxypropyl)pyrimidin-4-amine?
The InChIKey is IMHKDJYQGVTAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3O/c1-3-7-17-8-5-6-14-12-11(13)10(4-2)15-9-16-12/h9H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 6-ethyl-5-fluoro-N-(3-propoxypropyl)pyrimidin-4-amine?
6-ethyl-5-fluoro-N-(3-propoxypropyl)pyrimidin-4-amine has a molecular weight of 241.31 g/mol, XLogP of 2.41, 8 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-(3-propoxypropyl)pyrimidin-4-amine is sourced from PubChem (CID 114045642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).