6-phenyl-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C20H19F3N4 — CID 112932884

IUPAC6-phenyl-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCC(C)Nc1nc(Nc2ccccc2C(F)(F)F)cc(-c2ccccc2)n1
InChIInChI=1S/C20H19F3N4/c1-13(2)24-19-26-17(14-8-4-3-5-9-14)12-18(27-19)25-16-11-7-6-10-15(16)20(21,22)23/h3-13H,1-2H3,(H2,24,25,26,27)
InChIKeyAWFVBVSJEQDEQK-UHFFFAOYSA-N
MW372.39 g/mol
LogP5.73
Rot. Bonds5

About 6-phenyl-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

6-phenyl-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 112932884) has the molecular formula C20H19F3N4 and a molecular weight of 372.39 g/mol. Its IUPAC name is 6-phenyl-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-phenyl-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID112932884
Molecular FormulaC20H19F3N4
Molecular Weight372.39 g/mol
Exact Mass372.16
IUPAC Name6-phenyl-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCC(C)Nc1nc(Nc2ccccc2C(F)(F)F)cc(-c2ccccc2)n1
InChIInChI=1S/C20H19F3N4/c1-13(2)24-19-26-17(14-8-4-3-5-9-14)12-18(27-19)25-16-11-7-6-10-15(16)20(21,22)23/h3-13H,1-2H3,(H2,24,25,26,27)
InChIKeyAWFVBVSJEQDEQK-UHFFFAOYSA-N
XLogP5.73
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.39
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-methylphenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932857
2-N-(2-methylphenyl)-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932714
4-N-(3-bromophenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932901
2-N-butan-2-yl-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112909173
2-phenyl-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine
CID 139593926
4-N-(2-methoxyethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932787
4-N-[(4-methoxyphenyl)methyl]-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932810
4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932798
2-chloro-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 62476740
4-N-(2-ethylphenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907315
2-N,6-diphenyl-4-N-propan-2-ylpyridine-2,4-diamine
CID 141497384
2-N-cyclopentyl-4-N-(2-fluorophenyl)-6-phenylpyrimidine-2,4-diamine
CID 112934451

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-phenyl-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 112932884) is 6-phenyl-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-phenyl-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-phenyl-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is CC(C)Nc1nc(Nc2ccccc2C(F)(F)F)cc(-c2ccccc2)n1.
What is the InChIKey of 6-phenyl-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is AWFVBVSJEQDEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4/c1-13(2)24-19-26-17(14-8-4-3-5-9-14)12-18(27-19)25-16-11-7-6-10-15(16)20(21,22)23/h3-13H,1-2H3,(H2,24,25,26,27).
What are the key properties of 6-phenyl-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
6-phenyl-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 372.39 g/mol, XLogP of 5.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112932884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).