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

C16H19F3N4 — CID 112909173

IUPAC2-N-butan-2-yl-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCCC(C)Nc1nc(C)cc(Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C16H19F3N4/c1-4-10(2)20-15-21-11(3)9-14(23-15)22-13-8-6-5-7-12(13)16(17,18)19/h5-10H,4H2,1-3H3,(H2,20,21,22,23)
InChIKeyGGAUNNFKMUIRFX-UHFFFAOYSA-N
MW324.35 g/mol
LogP4.76
Rot. Bonds5

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

2-N-butan-2-yl-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 112909173) has the molecular formula C16H19F3N4 and a molecular weight of 324.35 g/mol. Its IUPAC name is 2-N-butan-2-yl-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID112909173
Molecular FormulaC16H19F3N4
Molecular Weight324.35 g/mol
Exact Mass324.16
IUPAC Name2-N-butan-2-yl-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCCC(C)Nc1nc(C)cc(Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C16H19F3N4/c1-4-10(2)20-15-21-11(3)9-14(23-15)22-13-8-6-5-7-12(13)16(17,18)19/h5-10H,4H2,1-3H3,(H2,20,21,22,23)
InChIKeyGGAUNNFKMUIRFX-UHFFFAOYSA-N
XLogP4.76
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-butan-2-yl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112909147
2-[[2-(butan-2-ylamino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112909221
2-N-(2-ethoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112930829
4-N-butan-2-yl-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112908956
2-chloro-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 62476740
6-methyl-4-N-(4-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112927359
2-N-(2,4-difluorophenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112931279
2-N-(4-methoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112930727
4-N-(2-ethylphenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907315
2-N-butan-2-yl-6-methyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112909060
6-methyl-2-N-quinolin-8-yl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112931278
4-N-(4-chlorophenyl)-6-methyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112929807

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-butan-2-yl-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 112909173) is 2-N-butan-2-yl-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-butan-2-yl-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-butan-2-yl-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is CCC(C)Nc1nc(C)cc(Nc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2-N-butan-2-yl-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is GGAUNNFKMUIRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4/c1-4-10(2)20-15-21-11(3)9-14(23-15)22-13-8-6-5-7-12(13)16(17,18)19/h5-10H,4H2,1-3H3,(H2,20,21,22,23).
What are the key properties of 2-N-butan-2-yl-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
2-N-butan-2-yl-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 324.35 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112909173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).