4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

C12H20F3N5 — CID 106771246

IUPAC4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCC(C)C(CN(C)C)Nc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C12H20F3N5/c1-7(2)8(6-20(3)4)17-10-5-9(16)18-11(19-10)12(13,14)15/h5,7-8H,6H2,1-4H3,(H3,16,17,18,19)
InChIKeySTYBVKQWJZMGBJ-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.08
Rot. Bonds5

About 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106771246) has the molecular formula C12H20F3N5 and a molecular weight of 291.32 g/mol. Its IUPAC name is 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106771246
Molecular FormulaC12H20F3N5
Molecular Weight291.32 g/mol
Exact Mass291.17
IUPAC Name4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCC(C)C(CN(C)C)Nc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C12H20F3N5/c1-7(2)8(6-20(3)4)17-10-5-9(16)18-11(19-10)12(13,14)15/h5,7-8H,6H2,1-4H3,(H3,16,17,18,19)
InChIKeySTYBVKQWJZMGBJ-UHFFFAOYSA-N
XLogP2.08
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(trifluoromethyl)pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106771246) is 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is CC(C)C(CN(C)C)Nc1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is STYBVKQWJZMGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N5/c1-7(2)8(6-20(3)4)17-10-5-9(16)18-11(19-10)12(13,14)15/h5,7-8H,6H2,1-4H3,(H3,16,17,18,19).
What are the key properties of 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 291.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106771246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).