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

C13H21F3N4 — CID 80983098

IUPAC4-N-ethyl-6-N,5-dimethyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCN(CC(F)(F)F)c1nc(C(C)C)nc(NC)c1C
InChIInChI=1S/C13H21F3N4/c1-6-20(7-13(14,15)16)12-9(4)11(17-5)18-10(19-12)8(2)3/h8H,6-7H2,1-5H3,(H,17,18,19)
InChIKeyDCXRKSDZMPYMHO-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.34
Rot. Bonds5

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

4-N-ethyl-6-N,5-dimethyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80983098) 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-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-N,5-dimethyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80983098
Molecular FormulaC13H21F3N4
Molecular Weight290.33 g/mol
Exact Mass290.17
IUPAC Name4-N-ethyl-6-N,5-dimethyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCN(CC(F)(F)F)c1nc(C(C)C)nc(NC)c1C
InChIInChI=1S/C13H21F3N4/c1-6-20(7-13(14,15)16)12-9(4)11(17-5)18-10(19-12)8(2)3/h8H,6-7H2,1-5H3,(H,17,18,19)
InChIKeyDCXRKSDZMPYMHO-UHFFFAOYSA-N
XLogP3.34
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.34
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-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-6-N,5-dimethyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80983098) is 4-N-ethyl-6-N,5-dimethyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-6-N,5-dimethyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-6-N,5-dimethyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCN(CC(F)(F)F)c1nc(C(C)C)nc(NC)c1C.
What is the InChIKey of 4-N-ethyl-6-N,5-dimethyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is DCXRKSDZMPYMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4/c1-6-20(7-13(14,15)16)12-9(4)11(17-5)18-10(19-12)8(2)3/h8H,6-7H2,1-5H3,(H,17,18,19).
What are the key properties of 4-N-ethyl-6-N,5-dimethyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
4-N-ethyl-6-N,5-dimethyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 290.33 g/mol, XLogP of 3.34, 5 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-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80983098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).