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

C13H19F3N4 — CID 80982336

IUPAC2-cyclopropyl-4-N-ethyl-6-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCN(CC(F)(F)F)c1nc(C2CC2)nc(NC)c1C
InChIInChI=1S/C13H19F3N4/c1-4-20(7-13(14,15)16)12-8(2)10(17-3)18-11(19-12)9-5-6-9/h9H,4-7H2,1-3H3,(H,17,18,19)
InChIKeyUMNQCCCTJLZKJZ-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.09
Rot. Bonds5

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

2-cyclopropyl-4-N-ethyl-6-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80982336) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-ethyl-6-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-ethyl-6-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80982336
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name2-cyclopropyl-4-N-ethyl-6-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCN(CC(F)(F)F)c1nc(C2CC2)nc(NC)c1C
InChIInChI=1S/C13H19F3N4/c1-4-20(7-13(14,15)16)12-8(2)10(17-3)18-11(19-12)9-5-6-9/h9H,4-7H2,1-3H3,(H,17,18,19)
InChIKeyUMNQCCCTJLZKJZ-UHFFFAOYSA-N
XLogP3.09
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-ethyl-6-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-ethyl-6-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80982336) is 2-cyclopropyl-4-N-ethyl-6-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-ethyl-6-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-ethyl-6-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCN(CC(F)(F)F)c1nc(C2CC2)nc(NC)c1C.
What is the InChIKey of 2-cyclopropyl-4-N-ethyl-6-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is UMNQCCCTJLZKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-4-20(7-13(14,15)16)12-8(2)10(17-3)18-11(19-12)9-5-6-9/h9H,4-7H2,1-3H3,(H,17,18,19).
What are the key properties of 2-cyclopropyl-4-N-ethyl-6-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
2-cyclopropyl-4-N-ethyl-6-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 288.32 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-ethyl-6-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80982336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).