6-ethyl-N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-4-amine

C17H24FN5O — CID 128979366

IUPAC6-ethyl-N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NC(c2nccn2CC)C2CCOCC2)c1F
InChIInChI=1S/C17H24FN5O/c1-3-13-14(18)16(21-11-20-13)22-15(12-5-9-24-10-6-12)17-19-7-8-23(17)4-2/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,20,21,22)
InChIKeyRGBGHVAKQCGEIE-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.97
Rot. Bonds6

About 6-ethyl-N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-4-amine

6-ethyl-N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-4-amine (PubChem CID 128979366) has the molecular formula C17H24FN5O and a molecular weight of 333.41 g/mol. Its IUPAC name is 6-ethyl-N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-4-amine
PubChem CID128979366
Molecular FormulaC17H24FN5O
Molecular Weight333.41 g/mol
Exact Mass333.20
IUPAC Name6-ethyl-N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NC(c2nccn2CC)C2CCOCC2)c1F
InChIInChI=1S/C17H24FN5O/c1-3-13-14(18)16(21-11-20-13)22-15(12-5-9-24-10-6-12)17-19-7-8-23(17)4-2/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,20,21,22)
InChIKeyRGBGHVAKQCGEIE-UHFFFAOYSA-N
XLogP2.97
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-ethyl-N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-4-amine with MolForge

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Related Compounds

6-ethyl-5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine
CID 129483153
6-ethyl-5-fluoro-N-[(R)-[(3S)-oxolan-3-yl]-phenylmethyl]pyrimidin-4-amine
CID 124884243
N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]oxan-3-amine
CID 128981950
6-[[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]amino]pyridine-2-carbonitrile
CID 154796340
N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-fluoropyridine-4-carboxamide
CID 128988103
1-ethyl-3-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-1-yl]pyrazin-2-one
CID 129007467
(1S)-1-(1-ethylimidazol-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(oxan-4-yl)methanamine
CID 129482196
6-ethyl-5-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyrimidin-4-amine
CID 125136142
N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-3-sulfonamide
CID 167794018
2-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)ethanamine
CID 79761126
4-[[[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]amino]methyl]-1-methylpyrrole-2-carbonitrile
CID 128969600
N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-methyl-1H-pyrrole-2-carboxamide
CID 128988050

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-4-amine (CID 128979366) is 6-ethyl-N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-4-amine is CCc1ncnc(NC(c2nccn2CC)C2CCOCC2)c1F.
What is the InChIKey of 6-ethyl-N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-4-amine?
The InChIKey is RGBGHVAKQCGEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN5O/c1-3-13-14(18)16(21-11-20-13)22-15(12-5-9-24-10-6-12)17-19-7-8-23(17)4-2/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,20,21,22).
What are the key properties of 6-ethyl-N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-4-amine?
6-ethyl-N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-4-amine has a molecular weight of 333.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 128979366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).