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

C19H20ClF3N2O — CID 58035039

IUPAC4-chloro-6-[2-[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]ethyl]-2-(trifluoromethyl)pyrimidine
SMILESCc1ccc([C@@H]2CCC[C@H](CCc3cc(Cl)nc(C(F)(F)F)n3)O2)cc1
InChIInChI=1S/C19H20ClF3N2O/c1-12-5-7-13(8-6-12)16-4-2-3-15(26-16)10-9-14-11-17(20)25-18(24-14)19(21,22)23/h5-8,11,15-16H,2-4,9-10H2,1H3/t15-,16+/m1/s1
InChIKeySRCQFVGKFXPAJZ-CVEARBPZSA-N
MW384.83 g/mol
LogP5.70
Rot. Bonds4

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

4-chloro-6-[2-[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]ethyl]-2-(trifluoromethyl)pyrimidine (PubChem CID 58035039) has the molecular formula C19H20ClF3N2O and a molecular weight of 384.83 g/mol. Its IUPAC name is 4-chloro-6-[2-[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]ethyl]-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-[2-[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]ethyl]-2-(trifluoromethyl)pyrimidine
PubChem CID58035039
Molecular FormulaC19H20ClF3N2O
Molecular Weight384.83 g/mol
Exact Mass384.12
IUPAC Name4-chloro-6-[2-[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]ethyl]-2-(trifluoromethyl)pyrimidine
SMILESCc1ccc([C@@H]2CCC[C@H](CCc3cc(Cl)nc(C(F)(F)F)n3)O2)cc1
InChIInChI=1S/C19H20ClF3N2O/c1-12-5-7-13(8-6-12)16-4-2-3-15(26-16)10-9-14-11-17(20)25-18(24-14)19(21,22)23/h5-8,11,15-16H,2-4,9-10H2,1H3/t15-,16+/m1/s1
InChIKeySRCQFVGKFXPAJZ-CVEARBPZSA-N
XLogP5.70
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.83
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-6-[2-[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]ethyl]-2-(trifluoromethyl)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-6-[2-[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]ethyl]-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-[2-[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]ethyl]-2-(trifluoromethyl)pyrimidine (CID 58035039) is 4-chloro-6-[2-[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]ethyl]-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-[2-[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]ethyl]-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-[2-[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]ethyl]-2-(trifluoromethyl)pyrimidine is Cc1ccc([C@@H]2CCC[C@H](CCc3cc(Cl)nc(C(F)(F)F)n3)O2)cc1.
What is the InChIKey of 4-chloro-6-[2-[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]ethyl]-2-(trifluoromethyl)pyrimidine?
The InChIKey is SRCQFVGKFXPAJZ-CVEARBPZSA-N. The full InChI is InChI=1S/C19H20ClF3N2O/c1-12-5-7-13(8-6-12)16-4-2-3-15(26-16)10-9-14-11-17(20)25-18(24-14)19(21,22)23/h5-8,11,15-16H,2-4,9-10H2,1H3/t15-,16+/m1/s1.
What are the key properties of 4-chloro-6-[2-[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]ethyl]-2-(trifluoromethyl)pyrimidine?
4-chloro-6-[2-[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]ethyl]-2-(trifluoromethyl)pyrimidine has a molecular weight of 384.83 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2-[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]ethyl]-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 58035039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).