5-fluoro-2-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine

C14H18FN5O — CID 97470261

IUPAC5-fluoro-2-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine
SMILESCO[C@@H]1CCN(c2ncc(F)cn2)[C@H]1Cc1cnn(C)c1
InChIInChI=1S/C14H18FN5O/c1-19-9-10(6-18-19)5-12-13(21-2)3-4-20(12)14-16-7-11(15)8-17-14/h6-9,12-13H,3-5H2,1-2H3/t12-,13+/m0/s1
InChIKeyHAAYQYOAVZFVMD-QWHCGFSZSA-N
MW291.33 g/mol
LogP1.19
Rot. Bonds4

About 5-fluoro-2-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine

5-fluoro-2-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine (PubChem CID 97470261) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is 5-fluoro-2-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine
PubChem CID97470261
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC Name5-fluoro-2-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine
SMILESCO[C@@H]1CCN(c2ncc(F)cn2)[C@H]1Cc1cnn(C)c1
InChIInChI=1S/C14H18FN5O/c1-19-9-10(6-18-19)5-12-13(21-2)3-4-20(12)14-16-7-11(15)8-17-14/h6-9,12-13H,3-5H2,1-2H3/t12-,13+/m0/s1
InChIKeyHAAYQYOAVZFVMD-QWHCGFSZSA-N
XLogP1.19
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-2-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine 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-2-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 5-fluoro-2-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine (CID 97470261) is 5-fluoro-2-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 5-fluoro-2-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 5-fluoro-2-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine is CO[C@@H]1CCN(c2ncc(F)cn2)[C@H]1Cc1cnn(C)c1.
What is the InChIKey of 5-fluoro-2-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine?
The InChIKey is HAAYQYOAVZFVMD-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H18FN5O/c1-19-9-10(6-18-19)5-12-13(21-2)3-4-20(12)14-16-7-11(15)8-17-14/h6-9,12-13H,3-5H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of 5-fluoro-2-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine?
5-fluoro-2-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine has a molecular weight of 291.33 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 97470261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).