4-N-ethyl-6-N,5-dimethyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

C13H21F3N4 — CID 80983231

IUPAC4-N-ethyl-6-N,5-dimethyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCc1nc(NC)c(C)c(N(CC)CC(F)(F)F)n1
InChIInChI=1S/C13H21F3N4/c1-5-7-10-18-11(17-4)9(3)12(19-10)20(6-2)8-13(14,15)16/h5-8H2,1-4H3,(H,17,18,19)
InChIKeyQGSYXAXXBIFZHS-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.17
Rot. Bonds6

About 4-N-ethyl-6-N,5-dimethyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

4-N-ethyl-6-N,5-dimethyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80983231) has the molecular formula C13H21F3N4 and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-N-ethyl-6-N,5-dimethyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-N,5-dimethyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80983231
Molecular FormulaC13H21F3N4
Molecular Weight290.33 g/mol
Exact Mass290.17
IUPAC Name4-N-ethyl-6-N,5-dimethyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCc1nc(NC)c(C)c(N(CC)CC(F)(F)F)n1
InChIInChI=1S/C13H21F3N4/c1-5-7-10-18-11(17-4)9(3)12(19-10)20(6-2)8-13(14,15)16/h5-8H2,1-4H3,(H,17,18,19)
InChIKeyQGSYXAXXBIFZHS-UHFFFAOYSA-N
XLogP3.17
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-N,5-dimethyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-6-N,5-dimethyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80983231) is 4-N-ethyl-6-N,5-dimethyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-6-N,5-dimethyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-6-N,5-dimethyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCCc1nc(NC)c(C)c(N(CC)CC(F)(F)F)n1.
What is the InChIKey of 4-N-ethyl-6-N,5-dimethyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is QGSYXAXXBIFZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4/c1-5-7-10-18-11(17-4)9(3)12(19-10)20(6-2)8-13(14,15)16/h5-8H2,1-4H3,(H,17,18,19).
What are the key properties of 4-N-ethyl-6-N,5-dimethyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
4-N-ethyl-6-N,5-dimethyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 290.33 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-N,5-dimethyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80983231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).