2-phenyl-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,2-diamine

C14H15F3N4 — CID 105060701

IUPAC2-phenyl-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,2-diamine
SMILESCC(CN)(Nc1nccc(C(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C14H15F3N4/c1-13(9-18,10-5-3-2-4-6-10)21-12-19-8-7-11(20-12)14(15,16)17/h2-8H,9,18H2,1H3,(H,19,20,21)
InChIKeyNGGDFFLLEXGCNY-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.78
Rot. Bonds4

About 2-phenyl-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,2-diamine

2-phenyl-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,2-diamine (PubChem CID 105060701) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-phenyl-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,2-diamine.

Molecular Properties

Compound Name2-phenyl-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,2-diamine
PubChem CID105060701
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name2-phenyl-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,2-diamine
SMILESCC(CN)(Nc1nccc(C(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C14H15F3N4/c1-13(9-18,10-5-3-2-4-6-10)21-12-19-8-7-11(20-12)14(15,16)17/h2-8H,9,18H2,1H3,(H,19,20,21)
InChIKeyNGGDFFLLEXGCNY-UHFFFAOYSA-N
XLogP2.78
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,2-diamine?
The IUPAC name of 2-phenyl-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,2-diamine (CID 105060701) is 2-phenyl-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,2-diamine.
What is the SMILES notation for 2-phenyl-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,2-diamine?
The canonical SMILES for 2-phenyl-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,2-diamine is CC(CN)(Nc1nccc(C(F)(F)F)n1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,2-diamine?
The InChIKey is NGGDFFLLEXGCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c1-13(9-18,10-5-3-2-4-6-10)21-12-19-8-7-11(20-12)14(15,16)17/h2-8H,9,18H2,1H3,(H,19,20,21).
What are the key properties of 2-phenyl-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,2-diamine?
2-phenyl-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,2-diamine has a molecular weight of 296.30 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,2-diamine is sourced from PubChem (CID 105060701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).