2-N-benzyl-2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C20H19F3N4 — CID 112917144

IUPAC2-N-benzyl-2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(C(F)(F)F)cc2)nc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C20H19F3N4/c1-14-12-18(25-17-10-8-16(9-11-17)20(21,22)23)26-19(24-14)27(2)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,24,25,26)
InChIKeyPLVFKXVHWFADOJ-UHFFFAOYSA-N
MW372.39 g/mol
LogP5.18
Rot. Bonds5

About 2-N-benzyl-2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

2-N-benzyl-2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 112917144) has the molecular formula C20H19F3N4 and a molecular weight of 372.39 g/mol. Its IUPAC name is 2-N-benzyl-2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID112917144
Molecular FormulaC20H19F3N4
Molecular Weight372.39 g/mol
Exact Mass372.16
IUPAC Name2-N-benzyl-2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(C(F)(F)F)cc2)nc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C20H19F3N4/c1-14-12-18(25-17-10-8-16(9-11-17)20(21,22)23)26-19(24-14)27(2)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,24,25,26)
InChIKeyPLVFKXVHWFADOJ-UHFFFAOYSA-N
XLogP5.18
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.39
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-benzyl-4-N-(3-bromophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112917161
N-benzyl-N,4,6-trimethylpyrimidin-2-amine
CID 734467
2-N-benzyl-4-N-cyclopentyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112909623
2-N-benzyl-4-N-[2-(dimethylamino)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112912774
2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 80760167
6-methyl-2-N-(pyridin-3-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112919664
2-N-benzyl-4-N-[2-(3-chlorophenyl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112917093
2-N-[(2-chlorophenyl)methyl]-6-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112917931
4-N-(4-bromophenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112921635
6-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112914072
2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112927331
2-N-benzyl-4-N-(3,5-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 112891064

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 112917144) is 2-N-benzyl-2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is Cc1cc(Nc2ccc(C(F)(F)F)cc2)nc(N(C)Cc2ccccc2)n1.
What is the InChIKey of 2-N-benzyl-2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is PLVFKXVHWFADOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4/c1-14-12-18(25-17-10-8-16(9-11-17)20(21,22)23)26-19(24-14)27(2)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,24,25,26).
What are the key properties of 2-N-benzyl-2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
2-N-benzyl-2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 372.39 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112917144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).