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

C14H15F3N4 — CID 64830673

IUPAC2-N,2-N-dimethyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NCc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C14H15F3N4/c1-21(2)13-18-8-7-12(20-13)19-9-10-5-3-4-6-11(10)14(15,16)17/h3-8H,9H2,1-2H3,(H,18,19,20)
InChIKeyTUQHHCSBNLWSQT-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.17
Rot. Bonds4

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

2-N,2-N-dimethyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine (PubChem CID 64830673) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
PubChem CID64830673
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name2-N,2-N-dimethyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NCc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C14H15F3N4/c1-21(2)13-18-8-7-12(20-13)19-9-10-5-3-4-6-11(10)14(15,16)17/h3-8H,9H2,1-2H3,(H,18,19,20)
InChIKeyTUQHHCSBNLWSQT-UHFFFAOYSA-N
XLogP3.17
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine (CID 64830673) is 2-N,2-N-dimethyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine is CN(C)c1nccc(NCc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is TUQHHCSBNLWSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c1-21(2)13-18-8-7-12(20-13)19-9-10-5-3-4-6-11(10)14(15,16)17/h3-8H,9H2,1-2H3,(H,18,19,20).
What are the key properties of 2-N,2-N-dimethyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
2-N,2-N-dimethyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 296.30 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 64830673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).