(3R,5R)-4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyrimidin-2-yl]-3,5-dimethylmorpholine

C18H17ClF3N7O — CID 27235635

IUPAC(3R,5R)-4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyrimidin-2-yl]-3,5-dimethylmorpholine
SMILESC[C@@H]1COC[C@@H](C)N1c1ncc(-c2nnnn2-c2ccc(Cl)cc2)c(C(F)(F)F)n1
InChIInChI=1S/C18H17ClF3N7O/c1-10-8-30-9-11(2)28(10)17-23-7-14(15(24-17)18(20,21)22)16-25-26-27-29(16)13-5-3-12(19)4-6-13/h3-7,10-11H,8-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyDQDLCWMOMOWXHC-GHMZBOCLSA-N
MW439.83 g/mol
LogP3.41
Rot. Bonds3

About (3R,5R)-4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyrimidin-2-yl]-3,5-dimethylmorpholine

(3R,5R)-4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyrimidin-2-yl]-3,5-dimethylmorpholine (PubChem CID 27235635) has the molecular formula C18H17ClF3N7O and a molecular weight of 439.83 g/mol. Its IUPAC name is (3R,5R)-4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyrimidin-2-yl]-3,5-dimethylmorpholine.

Molecular Properties

Compound Name(3R,5R)-4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyrimidin-2-yl]-3,5-dimethylmorpholine
PubChem CID27235635
Molecular FormulaC18H17ClF3N7O
Molecular Weight439.83 g/mol
Exact Mass439.11
IUPAC Name(3R,5R)-4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyrimidin-2-yl]-3,5-dimethylmorpholine
SMILESC[C@@H]1COC[C@@H](C)N1c1ncc(-c2nnnn2-c2ccc(Cl)cc2)c(C(F)(F)F)n1
InChIInChI=1S/C18H17ClF3N7O/c1-10-8-30-9-11(2)28(10)17-23-7-14(15(24-17)18(20,21)22)16-25-26-27-29(16)13-5-3-12(19)4-6-13/h3-7,10-11H,8-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyDQDLCWMOMOWXHC-GHMZBOCLSA-N
XLogP3.41
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.83
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (3R,5R)-4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyrimidin-2-yl]-3,5-dimethylmorpholine 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 (3R,5R)-4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyrimidin-2-yl]-3,5-dimethylmorpholine?
The IUPAC name of (3R,5R)-4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyrimidin-2-yl]-3,5-dimethylmorpholine (CID 27235635) is (3R,5R)-4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyrimidin-2-yl]-3,5-dimethylmorpholine.
What is the SMILES notation for (3R,5R)-4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyrimidin-2-yl]-3,5-dimethylmorpholine?
The canonical SMILES for (3R,5R)-4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyrimidin-2-yl]-3,5-dimethylmorpholine is C[C@@H]1COC[C@@H](C)N1c1ncc(-c2nnnn2-c2ccc(Cl)cc2)c(C(F)(F)F)n1.
What is the InChIKey of (3R,5R)-4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyrimidin-2-yl]-3,5-dimethylmorpholine?
The InChIKey is DQDLCWMOMOWXHC-GHMZBOCLSA-N. The full InChI is InChI=1S/C18H17ClF3N7O/c1-10-8-30-9-11(2)28(10)17-23-7-14(15(24-17)18(20,21)22)16-25-26-27-29(16)13-5-3-12(19)4-6-13/h3-7,10-11H,8-9H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of (3R,5R)-4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyrimidin-2-yl]-3,5-dimethylmorpholine?
(3R,5R)-4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyrimidin-2-yl]-3,5-dimethylmorpholine has a molecular weight of 439.83 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyrimidin-2-yl]-3,5-dimethylmorpholine is sourced from PubChem (CID 27235635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).