6-(4-propan-2-ylphenoxy)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine

C20H19F3N4O2 — CID 19138835

IUPAC6-(4-propan-2-ylphenoxy)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine
SMILESCC(C)c1ccc(Oc2ncnc(Nc3ccc(OC(F)(F)F)cc3)c2N)cc1
InChIInChI=1S/C20H19F3N4O2/c1-12(2)13-3-7-15(8-4-13)28-19-17(24)18(25-11-26-19)27-14-5-9-16(10-6-14)29-20(21,22)23/h3-12H,24H2,1-2H3,(H,25,26,27)
InChIKeyJWLCAQXIUKOCDV-UHFFFAOYSA-N
MW404.39 g/mol
LogP5.62
Rot. Bonds6

About 6-(4-propan-2-ylphenoxy)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine

6-(4-propan-2-ylphenoxy)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine (PubChem CID 19138835) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 6-(4-propan-2-ylphenoxy)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(4-propan-2-ylphenoxy)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine
PubChem CID19138835
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name6-(4-propan-2-ylphenoxy)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine
SMILESCC(C)c1ccc(Oc2ncnc(Nc3ccc(OC(F)(F)F)cc3)c2N)cc1
InChIInChI=1S/C20H19F3N4O2/c1-12(2)13-3-7-15(8-4-13)28-19-17(24)18(25-11-26-19)27-14-5-9-16(10-6-14)29-20(21,22)23/h3-12H,24H2,1-2H3,(H,25,26,27)
InChIKeyJWLCAQXIUKOCDV-UHFFFAOYSA-N
XLogP5.62
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.39
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(4-propan-2-ylphenoxy)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine 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

4-N-(3,5-dimethylphenyl)-6-(4-propan-2-ylphenoxy)pyrimidine-4,5-diamine
CID 22540925
4-N-(4-phenoxyphenyl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 19134746
6-N-(4-methoxyphenyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 19149157
4-(2-phenylhydrazinyl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine
CID 19138730
6-phenoxy-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine
CID 19152592
4-N,4-N-dimethyl-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 19137031
4-N-(2-chloro-3-pyridinyl)-6-(4-propan-2-ylphenoxy)pyrimidine-4,5-diamine
CID 19138859
4-N-(4-propan-2-ylphenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 22547806
6-(4-bromophenoxy)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19149185
6-N-(4-butylphenyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 22540135
6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine
CID 19147718
6-(4-chloro-3-methylphenoxy)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 19153230

Frequently Asked Questions

What is the IUPAC name of 6-(4-propan-2-ylphenoxy)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine?
The IUPAC name of 6-(4-propan-2-ylphenoxy)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine (CID 19138835) is 6-(4-propan-2-ylphenoxy)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(4-propan-2-ylphenoxy)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine?
The canonical SMILES for 6-(4-propan-2-ylphenoxy)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine is CC(C)c1ccc(Oc2ncnc(Nc3ccc(OC(F)(F)F)cc3)c2N)cc1.
What is the InChIKey of 6-(4-propan-2-ylphenoxy)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine?
The InChIKey is JWLCAQXIUKOCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c1-12(2)13-3-7-15(8-4-13)28-19-17(24)18(25-11-26-19)27-14-5-9-16(10-6-14)29-20(21,22)23/h3-12H,24H2,1-2H3,(H,25,26,27).
What are the key properties of 6-(4-propan-2-ylphenoxy)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine?
6-(4-propan-2-ylphenoxy)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine has a molecular weight of 404.39 g/mol, XLogP of 5.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propan-2-ylphenoxy)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 19138835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).