4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine

C7H9F3N4 — CID 80791966

IUPAC4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
SMILESCN(CC(F)(F)F)c1ccnc(N)n1
InChIInChI=1S/C7H9F3N4/c1-14(4-7(8,9)10)5-2-3-12-6(11)13-5/h2-3H,4H2,1H3,(H2,11,12,13)
InChIKeyXODZCQXTWOWRRH-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.06
Rot. Bonds2

About 4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine

4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine (PubChem CID 80791966) has the molecular formula C7H9F3N4 and a molecular weight of 206.17 g/mol. Its IUPAC name is 4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
PubChem CID80791966
Molecular FormulaC7H9F3N4
Molecular Weight206.17 g/mol
Exact Mass206.08
IUPAC Name4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
SMILESCN(CC(F)(F)F)c1ccnc(N)n1
InChIInChI=1S/C7H9F3N4/c1-14(4-7(8,9)10)5-2-3-12-6(11)13-5/h2-3H,4H2,1H3,(H2,11,12,13)
InChIKeyXODZCQXTWOWRRH-UHFFFAOYSA-N
XLogP1.06
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine (CID 80791966) is 4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine is CN(CC(F)(F)F)c1ccnc(N)n1.
What is the InChIKey of 4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The InChIKey is XODZCQXTWOWRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4/c1-14(4-7(8,9)10)5-2-3-12-6(11)13-5/h2-3H,4H2,1H3,(H2,11,12,13).
What are the key properties of 4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine has a molecular weight of 206.17 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80791966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).