6-ethyl-5-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyrimidin-4-amine

C13H20FN3O2 — CID 125136142

IUPAC6-ethyl-5-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyrimidin-4-amine
SMILESCCc1ncnc(N[C@@H](C)CO[C@@H]2CCOC2)c1F
InChIInChI=1S/C13H20FN3O2/c1-3-11-12(14)13(16-8-15-11)17-9(2)6-19-10-4-5-18-7-10/h8-10H,3-7H2,1-2H3,(H,15,16,17)/t9-,10+/m0/s1
InChIKeyGVDUEVDUIFBXTE-VHSXEESVSA-N
MW269.32 g/mol
LogP1.78
Rot. Bonds6

About 6-ethyl-5-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyrimidin-4-amine

6-ethyl-5-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyrimidin-4-amine (PubChem CID 125136142) has the molecular formula C13H20FN3O2 and a molecular weight of 269.32 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyrimidin-4-amine
PubChem CID125136142
Molecular FormulaC13H20FN3O2
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC Name6-ethyl-5-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyrimidin-4-amine
SMILESCCc1ncnc(N[C@@H](C)CO[C@@H]2CCOC2)c1F
InChIInChI=1S/C13H20FN3O2/c1-3-11-12(14)13(16-8-15-11)17-9(2)6-19-10-4-5-18-7-10/h8-10H,3-7H2,1-2H3,(H,15,16,17)/t9-,10+/m0/s1
InChIKeyGVDUEVDUIFBXTE-VHSXEESVSA-N
XLogP1.78
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-ethyl-5-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyrimidin-4-amine with MolForge

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Related Compounds

6-ethyl-5-fluoro-N-[(R)-[(3S)-oxolan-3-yl]-phenylmethyl]pyrimidin-4-amine
CID 124884243
N-methyl-1-(oxolan-3-yloxy)propan-2-amine
CID 63556835
6-ethyl-5-fluoro-N-[2-(oxolan-3-yl)ethyl]pyrimidin-4-amine
CID 113413503
5-ethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133348299
5-(difluoromethoxy)-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyridin-2-amine
CID 97138326
6-ethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-2-pyridin-2-ylpyrimidin-4-amine
CID 133348443
N-[1-(oxolan-3-yloxy)propan-2-yl]butan-2-amine
CID 115727519
2,6-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]pyrimidin-4-amine
CID 133348335
6-ethyl-5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine
CID 129483153
6-ethyl-N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-4-amine
CID 128979366
5-bromo-N-[1-(oxolan-3-yloxy)propan-2-yl]pyridin-3-amine
CID 133348324
6-ethyl-5-fluoro-N-(2-methylpentan-3-yl)pyrimidin-4-amine
CID 103879965

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyrimidin-4-amine (CID 125136142) is 6-ethyl-5-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyrimidin-4-amine is CCc1ncnc(N[C@@H](C)CO[C@@H]2CCOC2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyrimidin-4-amine?
The InChIKey is GVDUEVDUIFBXTE-VHSXEESVSA-N. The full InChI is InChI=1S/C13H20FN3O2/c1-3-11-12(14)13(16-8-15-11)17-9(2)6-19-10-4-5-18-7-10/h8-10H,3-7H2,1-2H3,(H,15,16,17)/t9-,10+/m0/s1.
What are the key properties of 6-ethyl-5-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyrimidin-4-amine has a molecular weight of 269.32 g/mol, XLogP of 1.78, 6 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-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 125136142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).