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

C11H17F3N4 — CID 80776871

IUPAC2,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(NCC(F)(F)F)c1C
InChIInChI=1S/C11H17F3N4/c1-4-5-15-9-7(2)10(18-8(3)17-9)16-6-11(12,13)14/h4-6H2,1-3H3,(H2,15,16,17,18)
InChIKeySGOQWAZOQSBRCW-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.89
Rot. Bonds5

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

2,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80776871) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 2,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80776871
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name2,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(NCC(F)(F)F)c1C
InChIInChI=1S/C11H17F3N4/c1-4-5-15-9-7(2)10(18-8(3)17-9)16-6-11(12,13)14/h4-6H2,1-3H3,(H2,15,16,17,18)
InChIKeySGOQWAZOQSBRCW-UHFFFAOYSA-N
XLogP2.89
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80776871) is 2,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCCNc1nc(C)nc(NCC(F)(F)F)c1C.
What is the InChIKey of 2,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is SGOQWAZOQSBRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-4-5-15-9-7(2)10(18-8(3)17-9)16-6-11(12,13)14/h4-6H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
2,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 262.28 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80776871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).