5-(2-fluoro-4-pyridinyl)-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine

C20H19FN4O — CID 90182129

IUPAC5-(2-fluoro-4-pyridinyl)-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine
SMILESCc1ccc(C2C[C@@H]2COc2nc(C)ncc2-c2ccnc(F)c2)nc1
InChIInChI=1S/C20H19FN4O/c1-12-3-4-18(24-9-12)16-7-15(16)11-26-20-17(10-23-13(2)25-20)14-5-6-22-19(21)8-14/h3-6,8-10,15-16H,7,11H2,1-2H3/t15-,16?/m1/s1
InChIKeyWASATVINSWEAAD-AAFJCEBUSA-N
MW350.40 g/mol
LogP3.87
Rot. Bonds5

About 5-(2-fluoro-4-pyridinyl)-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine

5-(2-fluoro-4-pyridinyl)-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine (PubChem CID 90182129) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 5-(2-fluoro-4-pyridinyl)-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine.

Molecular Properties

Compound Name5-(2-fluoro-4-pyridinyl)-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine
PubChem CID90182129
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name5-(2-fluoro-4-pyridinyl)-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine
SMILESCc1ccc(C2C[C@@H]2COc2nc(C)ncc2-c2ccnc(F)c2)nc1
InChIInChI=1S/C20H19FN4O/c1-12-3-4-18(24-9-12)16-7-15(16)11-26-20-17(10-23-13(2)25-20)14-5-6-22-19(21)8-14/h3-6,8-10,15-16H,7,11H2,1-2H3/t15-,16?/m1/s1
InChIKeyWASATVINSWEAAD-AAFJCEBUSA-N
XLogP3.87
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-(2-fluoro-4-pyridinyl)-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]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-(2-fluoro-4-pyridinyl)-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine?
The IUPAC name of 5-(2-fluoro-4-pyridinyl)-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine (CID 90182129) is 5-(2-fluoro-4-pyridinyl)-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine.
What is the SMILES notation for 5-(2-fluoro-4-pyridinyl)-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine?
The canonical SMILES for 5-(2-fluoro-4-pyridinyl)-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine is Cc1ccc(C2C[C@@H]2COc2nc(C)ncc2-c2ccnc(F)c2)nc1.
What is the InChIKey of 5-(2-fluoro-4-pyridinyl)-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine?
The InChIKey is WASATVINSWEAAD-AAFJCEBUSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-12-3-4-18(24-9-12)16-7-15(16)11-26-20-17(10-23-13(2)25-20)14-5-6-22-19(21)8-14/h3-6,8-10,15-16H,7,11H2,1-2H3/t15-,16?/m1/s1.
What are the key properties of 5-(2-fluoro-4-pyridinyl)-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine?
5-(2-fluoro-4-pyridinyl)-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine has a molecular weight of 350.40 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-pyridinyl)-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine is sourced from PubChem (CID 90182129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).