5-fluoro-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-2-amine

C12H14FN5O — CID 128975000

IUPAC5-fluoro-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-2-amine
SMILESCn1ccnc1[C@H]1OCC[C@@H]1Nc1ncc(F)cn1
InChIInChI=1S/C12H14FN5O/c1-18-4-3-14-11(18)10-9(2-5-19-10)17-12-15-6-8(13)7-16-12/h3-4,6-7,9-10H,2,5H2,1H3,(H,15,16,17)/t9-,10-/m0/s1
InChIKeyYXQNULJSIGFVCU-UWVGGRQHSA-N
MW263.28 g/mol
LogP1.29
Rot. Bonds3

About 5-fluoro-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-2-amine

5-fluoro-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-2-amine (PubChem CID 128975000) has the molecular formula C12H14FN5O and a molecular weight of 263.28 g/mol. Its IUPAC name is 5-fluoro-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-2-amine
PubChem CID128975000
Molecular FormulaC12H14FN5O
Molecular Weight263.28 g/mol
Exact Mass263.12
IUPAC Name5-fluoro-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-2-amine
SMILESCn1ccnc1[C@H]1OCC[C@@H]1Nc1ncc(F)cn1
InChIInChI=1S/C12H14FN5O/c1-18-4-3-14-11(18)10-9(2-5-19-10)17-12-15-6-8(13)7-16-12/h3-4,6-7,9-10H,2,5H2,1H3,(H,15,16,17)/t9-,10-/m0/s1
InChIKeyYXQNULJSIGFVCU-UWVGGRQHSA-N
XLogP1.29
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-2-amine (CID 128975000) is 5-fluoro-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-2-amine is Cn1ccnc1[C@H]1OCC[C@@H]1Nc1ncc(F)cn1.
What is the InChIKey of 5-fluoro-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-2-amine?
The InChIKey is YXQNULJSIGFVCU-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H14FN5O/c1-18-4-3-14-11(18)10-9(2-5-19-10)17-12-15-6-8(13)7-16-12/h3-4,6-7,9-10H,2,5H2,1H3,(H,15,16,17)/t9-,10-/m0/s1.
What are the key properties of 5-fluoro-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-2-amine?
5-fluoro-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-2-amine has a molecular weight of 263.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 128975000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).