4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C7H9F3N4 — CID 141176474

IUPAC4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(N)ncc1C(F)(F)F
InChIInChI=1S/C7H9F3N4/c1-2-12-5-4(7(8,9)10)3-13-6(11)14-5/h3H,2H2,1H3,(H3,11,12,13,14)
InChIKeyRUAKGZYYSYEWCX-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.51
Rot. Bonds2

About 4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 141176474) has the molecular formula C7H9F3N4 and a molecular weight of 206.17 g/mol. Its IUPAC name is 4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID141176474
Molecular FormulaC7H9F3N4
Molecular Weight206.17 g/mol
Exact Mass206.08
IUPAC Name4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(N)ncc1C(F)(F)F
InChIInChI=1S/C7H9F3N4/c1-2-12-5-4(7(8,9)10)3-13-6(11)14-5/h3H,2H2,1H3,(H3,11,12,13,14)
InChIKeyRUAKGZYYSYEWCX-UHFFFAOYSA-N
XLogP1.51
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 141176474) is 4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CCNc1nc(N)ncc1C(F)(F)F.
What is the InChIKey of 4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is RUAKGZYYSYEWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4/c1-2-12-5-4(7(8,9)10)3-13-6(11)14-5/h3H,2H2,1H3,(H3,11,12,13,14).
What are the key properties of 4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 206.17 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 141176474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).