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

C14H18FN5O — CID 128976997

IUPAC5-fluoro-N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]pyrimidin-2-amine
SMILESCC(C)n1nccc1[C@H]1OCC[C@@H]1Nc1ncc(F)cn1
InChIInChI=1S/C14H18FN5O/c1-9(2)20-12(3-5-18-20)13-11(4-6-21-13)19-14-16-7-10(15)8-17-14/h3,5,7-9,11,13H,4,6H2,1-2H3,(H,16,17,19)/t11-,13-/m0/s1
InChIKeyGTQRBTZJQCFDFT-AAEUAGOBSA-N
MW291.33 g/mol
LogP2.34
Rot. Bonds4

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

5-fluoro-N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]pyrimidin-2-amine (PubChem CID 128976997) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is 5-fluoro-N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]pyrimidin-2-amine
PubChem CID128976997
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC Name5-fluoro-N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]pyrimidin-2-amine
SMILESCC(C)n1nccc1[C@H]1OCC[C@@H]1Nc1ncc(F)cn1
InChIInChI=1S/C14H18FN5O/c1-9(2)20-12(3-5-18-20)13-11(4-6-21-13)19-14-16-7-10(15)8-17-14/h3,5,7-9,11,13H,4,6H2,1-2H3,(H,16,17,19)/t11-,13-/m0/s1
InChIKeyGTQRBTZJQCFDFT-AAEUAGOBSA-N
XLogP2.34
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]pyrimidin-2-amine (CID 128976997) is 5-fluoro-N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]pyrimidin-2-amine is CC(C)n1nccc1[C@H]1OCC[C@@H]1Nc1ncc(F)cn1.
What is the InChIKey of 5-fluoro-N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]pyrimidin-2-amine?
The InChIKey is GTQRBTZJQCFDFT-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H18FN5O/c1-9(2)20-12(3-5-18-20)13-11(4-6-21-13)19-14-16-7-10(15)8-17-14/h3,5,7-9,11,13H,4,6H2,1-2H3,(H,16,17,19)/t11-,13-/m0/s1.
What are the key properties of 5-fluoro-N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]pyrimidin-2-amine?
5-fluoro-N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]pyrimidin-2-amine has a molecular weight of 291.33 g/mol, XLogP of 2.34, 4 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-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 128976997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).