6-ethyl-5-fluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine

C12H16FN5 — CID 113344408

IUPAC6-ethyl-5-fluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCCc1ncnc(NC(C)c2cnn(C)c2)c1F
InChIInChI=1S/C12H16FN5/c1-4-10-11(13)12(15-7-14-10)17-8(2)9-5-16-18(3)6-9/h5-8H,4H2,1-3H3,(H,14,15,17)
InChIKeyMNLQSVCAAOIRIB-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.08
Rot. Bonds4

About 6-ethyl-5-fluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine

6-ethyl-5-fluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine (PubChem CID 113344408) has the molecular formula C12H16FN5 and a molecular weight of 249.29 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
PubChem CID113344408
Molecular FormulaC12H16FN5
Molecular Weight249.29 g/mol
Exact Mass249.14
IUPAC Name6-ethyl-5-fluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCCc1ncnc(NC(C)c2cnn(C)c2)c1F
InChIInChI=1S/C12H16FN5/c1-4-10-11(13)12(15-7-14-10)17-8(2)9-5-16-18(3)6-9/h5-8H,4H2,1-3H3,(H,14,15,17)
InChIKeyMNLQSVCAAOIRIB-UHFFFAOYSA-N
XLogP2.08
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pentan-1-ol
CID 103880365
6-ethyl-5-fluoro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrimidin-4-amine
CID 133418207
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 133432283
(2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoic acid
CID 120964282
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 103879939
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]butan-1-ol
CID 103867388
6-ethyl-5-fluoro-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 114045643
N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide
CID 113344286
6-ethyl-5-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine
CID 129006905
6-ethyl-5-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 103879827
6-ethyl-5-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 103883732

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine (CID 113344408) is 6-ethyl-5-fluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine is CCc1ncnc(NC(C)c2cnn(C)c2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine?
The InChIKey is MNLQSVCAAOIRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5/c1-4-10-11(13)12(15-7-14-10)17-8(2)9-5-16-18(3)6-9/h5-8H,4H2,1-3H3,(H,14,15,17).
What are the key properties of 6-ethyl-5-fluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine has a molecular weight of 249.29 g/mol, XLogP of 2.08, 4 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-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 113344408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).