6-ethyl-5-fluoro-N-hex-5-ynylpyrimidin-4-amine

C12H16FN3 — CID 103880373

IUPAC6-ethyl-5-fluoro-N-hex-5-ynylpyrimidin-4-amine
SMILESC#CCCCCNc1ncnc(CC)c1F
InChIInChI=1S/C12H16FN3/c1-3-5-6-7-8-14-12-11(13)10(4-2)15-9-16-12/h1,9H,4-8H2,2H3,(H,14,15,16)
InChIKeyUFYNUFAWRDRPNT-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.39
Rot. Bonds6

About 6-ethyl-5-fluoro-N-hex-5-ynylpyrimidin-4-amine

6-ethyl-5-fluoro-N-hex-5-ynylpyrimidin-4-amine (PubChem CID 103880373) has the molecular formula C12H16FN3 and a molecular weight of 221.28 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-hex-5-ynylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-hex-5-ynylpyrimidin-4-amine
PubChem CID103880373
Molecular FormulaC12H16FN3
Molecular Weight221.28 g/mol
Exact Mass221.13
IUPAC Name6-ethyl-5-fluoro-N-hex-5-ynylpyrimidin-4-amine
SMILESC#CCCCCNc1ncnc(CC)c1F
InChIInChI=1S/C12H16FN3/c1-3-5-6-7-8-14-12-11(13)10(4-2)15-9-16-12/h1,9H,4-8H2,2H3,(H,14,15,16)
InChIKeyUFYNUFAWRDRPNT-UHFFFAOYSA-N
XLogP2.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-ethyl-5-fluoropyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 113344333
6-ethyl-5-fluoro-N-(3-propoxypropyl)pyrimidin-4-amine
CID 114045642
tert-butyl N-[3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propyl]carbamate
CID 103880078
6-ethyl-5-fluoro-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104577121
6-chloro-5-ethyl-N-pent-4-ynylpyrimidin-4-amine
CID 106223062
5-bromo-6-chloro-N-hex-5-ynylpyrimidin-4-amine
CID 106214657
6-ethyl-5-fluoro-N-(2-pyrazol-1-ylethyl)pyrimidin-4-amine
CID 103867495
3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122061059
6-ethyl-5-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 103879827
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
6-ethyl-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 103880030

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-hex-5-ynylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-hex-5-ynylpyrimidin-4-amine (CID 103880373) is 6-ethyl-5-fluoro-N-hex-5-ynylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-hex-5-ynylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-hex-5-ynylpyrimidin-4-amine is C#CCCCCNc1ncnc(CC)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-hex-5-ynylpyrimidin-4-amine?
The InChIKey is UFYNUFAWRDRPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3/c1-3-5-6-7-8-14-12-11(13)10(4-2)15-9-16-12/h1,9H,4-8H2,2H3,(H,14,15,16).
What are the key properties of 6-ethyl-5-fluoro-N-hex-5-ynylpyrimidin-4-amine?
6-ethyl-5-fluoro-N-hex-5-ynylpyrimidin-4-amine has a molecular weight of 221.28 g/mol, XLogP of 2.39, 6 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-hex-5-ynylpyrimidin-4-amine is sourced from PubChem (CID 103880373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).