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

C12H17F3N4 — CID 80981649

IUPAC2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCNc1nc(C2CC2)nc(NCC(F)(F)F)c1C
InChIInChI=1S/C12H17F3N4/c1-3-16-9-7(2)10(17-6-12(13,14)15)19-11(18-9)8-4-5-8/h8H,3-6H2,1-2H3,(H2,16,17,18,19)
InChIKeyXPGXWZBSXJGWLX-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.07
Rot. Bonds5

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

2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80981649) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80981649
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCNc1nc(C2CC2)nc(NCC(F)(F)F)c1C
InChIInChI=1S/C12H17F3N4/c1-3-16-9-7(2)10(17-6-12(13,14)15)19-11(18-9)8-4-5-8/h8H,3-6H2,1-2H3,(H2,16,17,18,19)
InChIKeyXPGXWZBSXJGWLX-UHFFFAOYSA-N
XLogP3.07
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80981649) is 2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCNc1nc(C2CC2)nc(NCC(F)(F)F)c1C.
What is the InChIKey of 2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is XPGXWZBSXJGWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-3-16-9-7(2)10(17-6-12(13,14)15)19-11(18-9)8-4-5-8/h8H,3-6H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 274.29 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80981649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).