N',2,2-trimethyl-N'-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine

C11H17F3N4 — CID 79660157

IUPACN',2,2-trimethyl-N'-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine
SMILESCN(CC(C)(C)CN)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H17F3N4/c1-10(2,6-15)7-18(3)9-16-5-4-8(17-9)11(12,13)14/h4-5H,6-7,15H2,1-3H3
InChIKeyTWGNGBJSQCYPED-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.92
Rot. Bonds4

About N',2,2-trimethyl-N'-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine

N',2,2-trimethyl-N'-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine (PubChem CID 79660157) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine
PubChem CID79660157
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC NameN',2,2-trimethyl-N'-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine
SMILESCN(CC(C)(C)CN)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H17F3N4/c1-10(2,6-15)7-18(3)9-16-5-4-8(17-9)11(12,13)14/h4-5H,6-7,15H2,1-3H3
InChIKeyTWGNGBJSQCYPED-UHFFFAOYSA-N
XLogP1.92
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine?
The IUPAC name of N',2,2-trimethyl-N'-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine (CID 79660157) is N',2,2-trimethyl-N'-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine.
What is the SMILES notation for N',2,2-trimethyl-N'-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine?
The canonical SMILES for N',2,2-trimethyl-N'-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine is CN(CC(C)(C)CN)c1nccc(C(F)(F)F)n1.
What is the InChIKey of N',2,2-trimethyl-N'-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine?
The InChIKey is TWGNGBJSQCYPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-10(2,6-15)7-18(3)9-16-5-4-8(17-9)11(12,13)14/h4-5H,6-7,15H2,1-3H3.
What are the key properties of N',2,2-trimethyl-N'-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine?
N',2,2-trimethyl-N'-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine has a molecular weight of 262.28 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine is sourced from PubChem (CID 79660157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).