2-chloro-4-[(2R)-3-methyl-3-(oxan-2-yloxy)butan-2-yl]oxy-5-(trifluoromethyl)pyrimidine

C15H20ClF3N2O3 — CID 58467963

IUPAC2-chloro-4-[(2R)-3-methyl-3-(oxan-2-yloxy)butan-2-yl]oxy-5-(trifluoromethyl)pyrimidine
SMILESC[C@@H](Oc1nc(Cl)ncc1C(F)(F)F)C(C)(C)OC1CCCCO1
InChIInChI=1S/C15H20ClF3N2O3/c1-9(14(2,3)24-11-6-4-5-7-22-11)23-12-10(15(17,18)19)8-20-13(16)21-12/h8-9,11H,4-7H2,1-3H3/t9-,11?/m1/s1
InChIKeyLIPLGVYNDCOBIJ-BFHBGLAWSA-N
MW368.78 g/mol
LogP4.24
Rot. Bonds5

About 2-chloro-4-[(2R)-3-methyl-3-(oxan-2-yloxy)butan-2-yl]oxy-5-(trifluoromethyl)pyrimidine

2-chloro-4-[(2R)-3-methyl-3-(oxan-2-yloxy)butan-2-yl]oxy-5-(trifluoromethyl)pyrimidine (PubChem CID 58467963) has the molecular formula C15H20ClF3N2O3 and a molecular weight of 368.78 g/mol. Its IUPAC name is 2-chloro-4-[(2R)-3-methyl-3-(oxan-2-yloxy)butan-2-yl]oxy-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[(2R)-3-methyl-3-(oxan-2-yloxy)butan-2-yl]oxy-5-(trifluoromethyl)pyrimidine
PubChem CID58467963
Molecular FormulaC15H20ClF3N2O3
Molecular Weight368.78 g/mol
Exact Mass368.11
IUPAC Name2-chloro-4-[(2R)-3-methyl-3-(oxan-2-yloxy)butan-2-yl]oxy-5-(trifluoromethyl)pyrimidine
SMILESC[C@@H](Oc1nc(Cl)ncc1C(F)(F)F)C(C)(C)OC1CCCCO1
InChIInChI=1S/C15H20ClF3N2O3/c1-9(14(2,3)24-11-6-4-5-7-22-11)23-12-10(15(17,18)19)8-20-13(16)21-12/h8-9,11H,4-7H2,1-3H3/t9-,11?/m1/s1
InChIKeyLIPLGVYNDCOBIJ-BFHBGLAWSA-N
XLogP4.24
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.78
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-dichloro-4-[2-(oxan-2-yloxy)propan-2-yl]pyridazine
CID 146402698
2-chloro-5-fluoro-4-(oxan-2-ylmethoxy)pyrimidine
CID 79081513
6-chloro-2-(oxan-2-yloxymethyl)-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridine
CID 90177588
6-chloro-2-(oxan-2-yloxymethyl)-1-(1,1,1-trifluoropropan-2-yl)imidazo[4,5-c]pyridine
CID 123687620
2-chloro-5-[2-methyl-2-(oxan-2-yloxy)propyl]-6a,7,9,10-tetrahydro-[1,4]oxazino[3,4-h]pteridin-6-one
CID 86651591
2-[2-(oxan-2-yloxy)propan-2-yloxy]oxane
CID 18680583
2-chloro-4-(1-cycloheptyl-2,2,2-trifluoroethoxy)-5-fluoropyrimidine
CID 143519612
6-chloro-2-[1-(oxan-2-yloxy)ethyl]-3H-imidazo[4,5-c]pyridine
CID 129271140
6-chloro-2-[1-[(2R)-oxan-2-yl]oxyethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridine
CID 90177734
2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol;propan-2-ol
CID 157267746
2-[4-[2-[2-[2,3-dimethyl-3-(oxan-2-yloxy)butyl]phenyl]sulfonylphenyl]-2,3-dimethylbutan-2-yl]oxyoxane
CID 139633686
2-chloro-4-(oxan-2-ylmethoxy)-6-propan-2-yloxy-1,3,5-triazine
CID 62868914

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2R)-3-methyl-3-(oxan-2-yloxy)butan-2-yl]oxy-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-[(2R)-3-methyl-3-(oxan-2-yloxy)butan-2-yl]oxy-5-(trifluoromethyl)pyrimidine (CID 58467963) is 2-chloro-4-[(2R)-3-methyl-3-(oxan-2-yloxy)butan-2-yl]oxy-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-[(2R)-3-methyl-3-(oxan-2-yloxy)butan-2-yl]oxy-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-[(2R)-3-methyl-3-(oxan-2-yloxy)butan-2-yl]oxy-5-(trifluoromethyl)pyrimidine is C[C@@H](Oc1nc(Cl)ncc1C(F)(F)F)C(C)(C)OC1CCCCO1.
What is the InChIKey of 2-chloro-4-[(2R)-3-methyl-3-(oxan-2-yloxy)butan-2-yl]oxy-5-(trifluoromethyl)pyrimidine?
The InChIKey is LIPLGVYNDCOBIJ-BFHBGLAWSA-N. The full InChI is InChI=1S/C15H20ClF3N2O3/c1-9(14(2,3)24-11-6-4-5-7-22-11)23-12-10(15(17,18)19)8-20-13(16)21-12/h8-9,11H,4-7H2,1-3H3/t9-,11?/m1/s1.
What are the key properties of 2-chloro-4-[(2R)-3-methyl-3-(oxan-2-yloxy)butan-2-yl]oxy-5-(trifluoromethyl)pyrimidine?
2-chloro-4-[(2R)-3-methyl-3-(oxan-2-yloxy)butan-2-yl]oxy-5-(trifluoromethyl)pyrimidine has a molecular weight of 368.78 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2R)-3-methyl-3-(oxan-2-yloxy)butan-2-yl]oxy-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 58467963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).