2-methoxy-6-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine

C20H18F3N3O2 — CID 141138699

IUPAC2-methoxy-6-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine
SMILESCOc1nc(NCCc2ccc(OC(F)(F)F)cc2)cc(-c2ccccc2)n1
InChIInChI=1S/C20H18F3N3O2/c1-27-19-25-17(15-5-3-2-4-6-15)13-18(26-19)24-12-11-14-7-9-16(10-8-14)28-20(21,22)23/h2-10,13H,11-12H2,1H3,(H,24,25,26)
InChIKeyLVTHQLUDGXBSFJ-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.71
Rot. Bonds7

About 2-methoxy-6-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine

2-methoxy-6-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine (PubChem CID 141138699) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is 2-methoxy-6-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methoxy-6-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine
PubChem CID141138699
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name2-methoxy-6-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine
SMILESCOc1nc(NCCc2ccc(OC(F)(F)F)cc2)cc(-c2ccccc2)n1
InChIInChI=1S/C20H18F3N3O2/c1-27-19-25-17(15-5-3-2-4-6-15)13-18(26-19)24-12-11-14-7-9-16(10-8-14)28-20(21,22)23/h2-10,13H,11-12H2,1H3,(H,24,25,26)
InChIKeyLVTHQLUDGXBSFJ-UHFFFAOYSA-N
XLogP4.71
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[2-methoxy-6-[2-[4-(trifluoromethoxy)phenyl]ethylamino]pyrimidin-4-yl]phenyl]methanol
CID 67962810
ethane;methyl 4-[3-[2-methoxy-6-[2-[4-(trifluoromethoxy)phenyl]ethylamino]pyrimidin-4-yl]phenyl]oxane-4-carboxylate
CID 143652237
N-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-2-methoxy-6-phenylpyrimidin-4-amine
CID 141138716
3-[3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenoxy]-3-methylbutan-2-one
CID 58990372
2-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenol
CID 135509970
2-[3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]acetonitrile
CID 53321838
N-ethyl-3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzenesulfonamide
CID 69074310
1-hydroxy-4-[3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenoxy]-4-methylpentan-3-one
CID 67962826
2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenyl)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935017
4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-N-methylbenzamide
CID 143652230
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrimidin-4-amine
CID 11625845
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-[(E)-4-methyliminopent-2-en-2-yl]phenyl]pyrimidin-4-amine
CID 143652183

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine?
The IUPAC name of 2-methoxy-6-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine (CID 141138699) is 2-methoxy-6-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methoxy-6-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-methoxy-6-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine is COc1nc(NCCc2ccc(OC(F)(F)F)cc2)cc(-c2ccccc2)n1.
What is the InChIKey of 2-methoxy-6-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine?
The InChIKey is LVTHQLUDGXBSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c1-27-19-25-17(15-5-3-2-4-6-15)13-18(26-19)24-12-11-14-7-9-16(10-8-14)28-20(21,22)23/h2-10,13H,11-12H2,1H3,(H,24,25,26).
What are the key properties of 2-methoxy-6-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine?
2-methoxy-6-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine has a molecular weight of 389.38 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 141138699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).