2-N,2-N,4-N-trimethyl-4-N-(2-morpholin-4-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

C15H24F3N5O — CID 131894351

IUPAC2-N,2-N,4-N-trimethyl-4-N-(2-morpholin-4-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCC(CN(C)c1cc(C(F)(F)F)nc(N(C)C)n1)N1CCOCC1
InChIInChI=1S/C15H24F3N5O/c1-11(23-5-7-24-8-6-23)10-22(4)13-9-12(15(16,17)18)19-14(20-13)21(2)3/h9,11H,5-8,10H2,1-4H3
InChIKeyVSCYAWYWOXEHJZ-UHFFFAOYSA-N
MW347.39 g/mol
LogP1.72
Rot. Bonds5

About 2-N,2-N,4-N-trimethyl-4-N-(2-morpholin-4-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

2-N,2-N,4-N-trimethyl-4-N-(2-morpholin-4-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 131894351) has the molecular formula C15H24F3N5O and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-N,2-N,4-N-trimethyl-4-N-(2-morpholin-4-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N-trimethyl-4-N-(2-morpholin-4-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID131894351
Molecular FormulaC15H24F3N5O
Molecular Weight347.39 g/mol
Exact Mass347.19
IUPAC Name2-N,2-N,4-N-trimethyl-4-N-(2-morpholin-4-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCC(CN(C)c1cc(C(F)(F)F)nc(N(C)C)n1)N1CCOCC1
InChIInChI=1S/C15H24F3N5O/c1-11(23-5-7-24-8-6-23)10-22(4)13-9-12(15(16,17)18)19-14(20-13)21(2)3/h9,11H,5-8,10H2,1-4H3
InChIKeyVSCYAWYWOXEHJZ-UHFFFAOYSA-N
XLogP1.72
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N-trimethyl-4-N-(2-morpholin-4-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N-trimethyl-4-N-(2-morpholin-4-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 131894351) is 2-N,2-N,4-N-trimethyl-4-N-(2-morpholin-4-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N-trimethyl-4-N-(2-morpholin-4-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N-trimethyl-4-N-(2-morpholin-4-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is CC(CN(C)c1cc(C(F)(F)F)nc(N(C)C)n1)N1CCOCC1.
What is the InChIKey of 2-N,2-N,4-N-trimethyl-4-N-(2-morpholin-4-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is VSCYAWYWOXEHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N5O/c1-11(23-5-7-24-8-6-23)10-22(4)13-9-12(15(16,17)18)19-14(20-13)21(2)3/h9,11H,5-8,10H2,1-4H3.
What are the key properties of 2-N,2-N,4-N-trimethyl-4-N-(2-morpholin-4-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N,2-N,4-N-trimethyl-4-N-(2-morpholin-4-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 347.39 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-trimethyl-4-N-(2-morpholin-4-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 131894351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).