6-ethyl-5-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine

C16H22FN5O — CID 128979350

IUPAC6-ethyl-5-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine
SMILESCCc1ncnc(NC(c2nccn2C)C2CCOCC2)c1F
InChIInChI=1S/C16H22FN5O/c1-3-12-13(17)15(20-10-19-12)21-14(11-4-8-23-9-5-11)16-18-6-7-22(16)2/h6-7,10-11,14H,3-5,8-9H2,1-2H3,(H,19,20,21)
InChIKeyPEGYHFSRTGTKJR-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.49
Rot. Bonds5

About 6-ethyl-5-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine

6-ethyl-5-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine (PubChem CID 128979350) has the molecular formula C16H22FN5O and a molecular weight of 319.38 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine
PubChem CID128979350
Molecular FormulaC16H22FN5O
Molecular Weight319.38 g/mol
Exact Mass319.18
IUPAC Name6-ethyl-5-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine
SMILESCCc1ncnc(NC(c2nccn2C)C2CCOCC2)c1F
InChIInChI=1S/C16H22FN5O/c1-3-12-13(17)15(20-10-19-12)21-14(11-4-8-23-9-5-11)16-18-6-7-22(16)2/h6-7,10-11,14H,3-5,8-9H2,1-2H3,(H,19,20,21)
InChIKeyPEGYHFSRTGTKJR-UHFFFAOYSA-N
XLogP2.49
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine (CID 128979350) is 6-ethyl-5-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine is CCc1ncnc(NC(c2nccn2C)C2CCOCC2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is PEGYHFSRTGTKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN5O/c1-3-12-13(17)15(20-10-19-12)21-14(11-4-8-23-9-5-11)16-18-6-7-22(16)2/h6-7,10-11,14H,3-5,8-9H2,1-2H3,(H,19,20,21).
What are the key properties of 6-ethyl-5-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 319.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 128979350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).