4-chloro-2-(fluoromethyl)-6-[2-[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]ethyl]pyrimidine

C19H22ClFN2O — CID 158668542

IUPAC4-chloro-2-(fluoromethyl)-6-[2-[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]ethyl]pyrimidine
SMILESCc1ccc([C@@H]2CCC[C@H](CCc3cc(Cl)nc(CF)n3)O2)cc1
InChIInChI=1S/C19H22ClFN2O/c1-13-5-7-14(8-6-13)17-4-2-3-16(24-17)10-9-15-11-18(20)23-19(12-21)22-15/h5-8,11,16-17H,2-4,9-10,12H2,1H3/t16-,17+/m1/s1
InChIKeyIDQWJJCAZHZFPA-SJORKVTESA-N
MW348.85 g/mol
LogP5.15
Rot. Bonds5

About 4-chloro-2-(fluoromethyl)-6-[2-[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]ethyl]pyrimidine

4-chloro-2-(fluoromethyl)-6-[2-[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]ethyl]pyrimidine (PubChem CID 158668542) has the molecular formula C19H22ClFN2O and a molecular weight of 348.85 g/mol. Its IUPAC name is 4-chloro-2-(fluoromethyl)-6-[2-[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]ethyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(fluoromethyl)-6-[2-[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]ethyl]pyrimidine
PubChem CID158668542
Molecular FormulaC19H22ClFN2O
Molecular Weight348.85 g/mol
Exact Mass348.14
IUPAC Name4-chloro-2-(fluoromethyl)-6-[2-[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]ethyl]pyrimidine
SMILESCc1ccc([C@@H]2CCC[C@H](CCc3cc(Cl)nc(CF)n3)O2)cc1
InChIInChI=1S/C19H22ClFN2O/c1-13-5-7-14(8-6-13)17-4-2-3-16(24-17)10-9-15-11-18(20)23-19(12-21)22-15/h5-8,11,16-17H,2-4,9-10,12H2,1H3/t16-,17+/m1/s1
InChIKeyIDQWJJCAZHZFPA-SJORKVTESA-N
XLogP5.15
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.85
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-(fluoromethyl)-6-[2-[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]ethyl]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 4-chloro-2-(fluoromethyl)-6-[2-[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]ethyl]pyrimidine?
The IUPAC name of 4-chloro-2-(fluoromethyl)-6-[2-[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]ethyl]pyrimidine (CID 158668542) is 4-chloro-2-(fluoromethyl)-6-[2-[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]ethyl]pyrimidine.
What is the SMILES notation for 4-chloro-2-(fluoromethyl)-6-[2-[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]ethyl]pyrimidine?
The canonical SMILES for 4-chloro-2-(fluoromethyl)-6-[2-[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]ethyl]pyrimidine is Cc1ccc([C@@H]2CCC[C@H](CCc3cc(Cl)nc(CF)n3)O2)cc1.
What is the InChIKey of 4-chloro-2-(fluoromethyl)-6-[2-[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]ethyl]pyrimidine?
The InChIKey is IDQWJJCAZHZFPA-SJORKVTESA-N. The full InChI is InChI=1S/C19H22ClFN2O/c1-13-5-7-14(8-6-13)17-4-2-3-16(24-17)10-9-15-11-18(20)23-19(12-21)22-15/h5-8,11,16-17H,2-4,9-10,12H2,1H3/t16-,17+/m1/s1.
What are the key properties of 4-chloro-2-(fluoromethyl)-6-[2-[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]ethyl]pyrimidine?
4-chloro-2-(fluoromethyl)-6-[2-[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]ethyl]pyrimidine has a molecular weight of 348.85 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(fluoromethyl)-6-[2-[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]ethyl]pyrimidine is sourced from PubChem (CID 158668542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).