[(1R,4S)-4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol

C12H16FN3O — CID 126827123

IUPAC[(1R,4S)-4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol
SMILESCc1nc(C)c(F)c(N[C@@H]2C=C[C@H](CO)C2)n1
InChIInChI=1S/C12H16FN3O/c1-7-11(13)12(15-8(2)14-7)16-10-4-3-9(5-10)6-17/h3-4,9-10,17H,5-6H2,1-2H3,(H,14,15,16)/t9-,10+/m0/s1
InChIKeyFPPBNCXQGXYORL-VHSXEESVSA-N
MW237.28 g/mol
LogP1.58
Rot. Bonds3

About [(1R,4S)-4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol

[(1R,4S)-4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol (PubChem CID 126827123) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is [(1R,4S)-4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S)-4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol
PubChem CID126827123
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name[(1R,4S)-4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol
SMILESCc1nc(C)c(F)c(N[C@@H]2C=C[C@H](CO)C2)n1
InChIInChI=1S/C12H16FN3O/c1-7-11(13)12(15-8(2)14-7)16-10-4-3-9(5-10)6-17/h3-4,9-10,17H,5-6H2,1-2H3,(H,14,15,16)/t9-,10+/m0/s1
InChIKeyFPPBNCXQGXYORL-VHSXEESVSA-N
XLogP1.58
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(1R,4S)-4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol 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 [(1R,4S)-4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S)-4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol (CID 126827123) is [(1R,4S)-4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S)-4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S)-4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol is Cc1nc(C)c(F)c(N[C@@H]2C=C[C@H](CO)C2)n1.
What is the InChIKey of [(1R,4S)-4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol?
The InChIKey is FPPBNCXQGXYORL-VHSXEESVSA-N. The full InChI is InChI=1S/C12H16FN3O/c1-7-11(13)12(15-8(2)14-7)16-10-4-3-9(5-10)6-17/h3-4,9-10,17H,5-6H2,1-2H3,(H,14,15,16)/t9-,10+/m0/s1.
What are the key properties of [(1R,4S)-4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol?
[(1R,4S)-4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol has a molecular weight of 237.28 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 126827123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).