5-(4-methoxyphenyl)-6-[4-(trifluoromethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine

C20H14F3N3O3 — CID 10272361

IUPAC5-(4-methoxyphenyl)-6-[4-(trifluoromethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2c(-c3ccc(OC(F)(F)F)cc3)oc3ncnc(N)c23)cc1
InChIInChI=1S/C20H14F3N3O3/c1-27-13-6-2-11(3-7-13)15-16-18(24)25-10-26-19(16)28-17(15)12-4-8-14(9-5-12)29-20(21,22)23/h2-10H,1H3,(H2,24,25,26)
InChIKeyBPADEGXULWESAJ-UHFFFAOYSA-N
MW401.34 g/mol
LogP5.05
Rot. Bonds4

About 5-(4-methoxyphenyl)-6-[4-(trifluoromethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine

5-(4-methoxyphenyl)-6-[4-(trifluoromethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine (PubChem CID 10272361) has the molecular formula C20H14F3N3O3 and a molecular weight of 401.34 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-6-[4-(trifluoromethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-6-[4-(trifluoromethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine
PubChem CID10272361
Molecular FormulaC20H14F3N3O3
Molecular Weight401.34 g/mol
Exact Mass401.10
IUPAC Name5-(4-methoxyphenyl)-6-[4-(trifluoromethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2c(-c3ccc(OC(F)(F)F)cc3)oc3ncnc(N)c23)cc1
InChIInChI=1S/C20H14F3N3O3/c1-27-13-6-2-11(3-7-13)15-16-18(24)25-10-26-19(16)28-17(15)12-4-8-14(9-5-12)29-20(21,22)23/h2-10H,1H3,(H2,24,25,26)
InChIKeyBPADEGXULWESAJ-UHFFFAOYSA-N
XLogP5.05
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.34
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(4-methoxyphenyl)-6-[4-(trifluoromethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-methoxyphenyl)-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-4-amine
CID 10271893
4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenol
CID 142215831
5,6-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidine
CID 142215847
[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]methanol
CID 58016781
N-cycloheptyl-5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine
CID 86211262
5-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 82284670
6-N-(4-methoxyphenyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 19149157
4-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxypentan-2-ol
CID 58016930
(2S)-2-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 59322556
5-(4-methoxyphenyl)-6-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)furo[2,3-d]pyrimidin-4-amine
CID 58016871
1-methoxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]benzene
CID 59726185
6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid
CID 58016957

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-6-[4-(trifluoromethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-methoxyphenyl)-6-[4-(trifluoromethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine (CID 10272361) is 5-(4-methoxyphenyl)-6-[4-(trifluoromethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-6-[4-(trifluoromethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-6-[4-(trifluoromethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine is COc1ccc(-c2c(-c3ccc(OC(F)(F)F)cc3)oc3ncnc(N)c23)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-6-[4-(trifluoromethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine?
The InChIKey is BPADEGXULWESAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O3/c1-27-13-6-2-11(3-7-13)15-16-18(24)25-10-26-19(16)28-17(15)12-4-8-14(9-5-12)29-20(21,22)23/h2-10H,1H3,(H2,24,25,26).
What are the key properties of 5-(4-methoxyphenyl)-6-[4-(trifluoromethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine?
5-(4-methoxyphenyl)-6-[4-(trifluoromethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine has a molecular weight of 401.34 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-6-[4-(trifluoromethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10272361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).