6-N-(4-aminocyclohexyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine;2,2,2-trifluoroacetic acid

C15H24F3N5O2 — CID 68979162

IUPAC6-N-(4-aminocyclohexyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine;2,2,2-trifluoroacetic acid
SMILESCc1nc(NC2CCC(N)CC2)cc(N(C)C)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H23N5.C2HF3O2/c1-9-15-12(8-13(16-9)18(2)3)17-11-6-4-10(14)5-7-11;3-2(4,5)1(6)7/h8,10-11H,4-7,14H2,1-3H3,(H,15,16,17);(H,6,7)
InChIKeyPVRWYWKADCILCQ-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.17
Rot. Bonds3

About 6-N-(4-aminocyclohexyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine;2,2,2-trifluoroacetic acid

6-N-(4-aminocyclohexyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine;2,2,2-trifluoroacetic acid (PubChem CID 68979162) has the molecular formula C15H24F3N5O2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 6-N-(4-aminocyclohexyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-N-(4-aminocyclohexyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine;2,2,2-trifluoroacetic acid
PubChem CID68979162
Molecular FormulaC15H24F3N5O2
Molecular Weight363.38 g/mol
Exact Mass363.19
IUPAC Name6-N-(4-aminocyclohexyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine;2,2,2-trifluoroacetic acid
SMILESCc1nc(NC2CCC(N)CC2)cc(N(C)C)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H23N5.C2HF3O2/c1-9-15-12(8-13(16-9)18(2)3)17-11-6-4-10(14)5-7-11;3-2(4,5)1(6)7/h8,10-11H,4-7,14H2,1-3H3,(H,15,16,17);(H,6,7)
InChIKeyPVRWYWKADCILCQ-UHFFFAOYSA-N
XLogP2.17
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-N-(4-aminocyclohexyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine;2,2,2-trifluoroacetic acid 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 6-N-(4-aminocyclohexyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-N-(4-aminocyclohexyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine;2,2,2-trifluoroacetic acid (CID 68979162) is 6-N-(4-aminocyclohexyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-N-(4-aminocyclohexyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-N-(4-aminocyclohexyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine;2,2,2-trifluoroacetic acid is Cc1nc(NC2CCC(N)CC2)cc(N(C)C)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-N-(4-aminocyclohexyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine;2,2,2-trifluoroacetic acid?
The InChIKey is PVRWYWKADCILCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5.C2HF3O2/c1-9-15-12(8-13(16-9)18(2)3)17-11-6-4-10(14)5-7-11;3-2(4,5)1(6)7/h8,10-11H,4-7,14H2,1-3H3,(H,15,16,17);(H,6,7).
What are the key properties of 6-N-(4-aminocyclohexyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine;2,2,2-trifluoroacetic acid?
6-N-(4-aminocyclohexyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine;2,2,2-trifluoroacetic acid has a molecular weight of 363.38 g/mol, XLogP of 2.17, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-aminocyclohexyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68979162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).