4-N-cyclopropyl-2-phenyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

C20H17F3N4 — CID 112879538

IUPAC4-N-cyclopropyl-2-phenyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESFC(F)(F)c1cccc(Nc2cc(NC3CC3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C20H17F3N4/c21-20(22,23)14-7-4-8-16(11-14)25-18-12-17(24-15-9-10-15)26-19(27-18)13-5-2-1-3-6-13/h1-8,11-12,15H,9-10H2,(H2,24,25,26,27)
InChIKeyGTVWGGXEDDSAPL-UHFFFAOYSA-N
MW370.38 g/mol
LogP5.48
Rot. Bonds5

About 4-N-cyclopropyl-2-phenyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

4-N-cyclopropyl-2-phenyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (PubChem CID 112879538) has the molecular formula C20H17F3N4 and a molecular weight of 370.38 g/mol. Its IUPAC name is 4-N-cyclopropyl-2-phenyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-2-phenyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
PubChem CID112879538
Molecular FormulaC20H17F3N4
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name4-N-cyclopropyl-2-phenyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESFC(F)(F)c1cccc(Nc2cc(NC3CC3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C20H17F3N4/c21-20(22,23)14-7-4-8-16(11-14)25-18-12-17(24-15-9-10-15)26-19(27-18)13-5-2-1-3-6-13/h1-8,11-12,15H,9-10H2,(H2,24,25,26,27)
InChIKeyGTVWGGXEDDSAPL-UHFFFAOYSA-N
XLogP5.48
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.38
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopropyl-6-N-(4-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112879528
4-N-cyclopropyl-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpyrimidine-4,6-diamine
CID 112879556
5-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112939226
1-[3-[[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112880078
4-[[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112879566
2-N-cycloheptyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112899975
6-chloro-N-cyclopropyl-2-phenylpyrimidin-4-amine
CID 112559616
4-N-cyclopropyl-6-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112879570
4-N-cyclopropyl-6-N-(2-ethylphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112879514
1-[4-[[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112880079
cis-(1S,3R)-3-[[2-phenyl-6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]cyclopentan-1-ol
CID 139393284
2-methyl-6-N-(3-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112877048

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-2-phenyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-2-phenyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (CID 112879538) is 4-N-cyclopropyl-2-phenyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-2-phenyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-2-phenyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is FC(F)(F)c1cccc(Nc2cc(NC3CC3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 4-N-cyclopropyl-2-phenyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The InChIKey is GTVWGGXEDDSAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4/c21-20(22,23)14-7-4-8-16(11-14)25-18-12-17(24-15-9-10-15)26-19(27-18)13-5-2-1-3-6-13/h1-8,11-12,15H,9-10H2,(H2,24,25,26,27).
What are the key properties of 4-N-cyclopropyl-2-phenyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
4-N-cyclopropyl-2-phenyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine has a molecular weight of 370.38 g/mol, XLogP of 5.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-2-phenyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112879538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).