4-N,4-N-dimethyl-2-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine

C13H19F3N4O2 — CID 133459265

IUPAC4-N,4-N-dimethyl-2-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCN(C)c1cc(C(F)(F)F)nc(NCCC2(C)OCCO2)n1
InChIInChI=1S/C13H19F3N4O2/c1-12(21-6-7-22-12)4-5-17-11-18-9(13(14,15)16)8-10(19-11)20(2)3/h8H,4-7H2,1-3H3,(H,17,18,19)
InChIKeyYYFVGBUSNMRYKQ-UHFFFAOYSA-N
MW320.31 g/mol
LogP2.13
Rot. Bonds5

About 4-N,4-N-dimethyl-2-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N,4-N-dimethyl-2-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 133459265) has the molecular formula C13H19F3N4O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID133459265
Molecular FormulaC13H19F3N4O2
Molecular Weight320.31 g/mol
Exact Mass320.15
IUPAC Name4-N,4-N-dimethyl-2-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCN(C)c1cc(C(F)(F)F)nc(NCCC2(C)OCCO2)n1
InChIInChI=1S/C13H19F3N4O2/c1-12(21-6-7-22-12)4-5-17-11-18-9(13(14,15)16)8-10(19-11)20(2)3/h8H,4-7H2,1-3H3,(H,17,18,19)
InChIKeyYYFVGBUSNMRYKQ-UHFFFAOYSA-N
XLogP2.13
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-2-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 133459265) is 4-N,4-N-dimethyl-2-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-2-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-2-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine is CN(C)c1cc(C(F)(F)F)nc(NCCC2(C)OCCO2)n1.
What is the InChIKey of 4-N,4-N-dimethyl-2-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is YYFVGBUSNMRYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O2/c1-12(21-6-7-22-12)4-5-17-11-18-9(13(14,15)16)8-10(19-11)20(2)3/h8H,4-7H2,1-3H3,(H,17,18,19).
What are the key properties of 4-N,4-N-dimethyl-2-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N,4-N-dimethyl-2-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 320.31 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-2-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 133459265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).