6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine

C17H20F3N5O2 — CID 5312285

IUPAC6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
SMILESFC(F)(F)Oc1ccc(Nc2cc(NCCN3CCOCC3)ncn2)cc1
InChIInChI=1S/C17H20F3N5O2/c18-17(19,20)27-14-3-1-13(2-4-14)24-16-11-15(22-12-23-16)21-5-6-25-7-9-26-10-8-25/h1-4,11-12H,5-10H2,(H2,21,22,23,24)
InChIKeyDGFBDHCOFRXYQX-UHFFFAOYSA-N
MW383.37 g/mol
LogP2.86
Rot. Bonds7

About 6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine

6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine (PubChem CID 5312285) has the molecular formula C17H20F3N5O2 and a molecular weight of 383.37 g/mol. Its IUPAC name is 6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
PubChem CID5312285
Molecular FormulaC17H20F3N5O2
Molecular Weight383.37 g/mol
Exact Mass383.16
IUPAC Name6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
SMILESFC(F)(F)Oc1ccc(Nc2cc(NCCN3CCOCC3)ncn2)cc1
InChIInChI=1S/C17H20F3N5O2/c18-17(19,20)27-14-3-1-13(2-4-14)24-16-11-15(22-12-23-16)21-5-6-25-7-9-26-10-8-25/h1-4,11-12H,5-10H2,(H2,21,22,23,24)
InChIKeyDGFBDHCOFRXYQX-UHFFFAOYSA-N
XLogP2.86
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine (CID 5312285) is 6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine is FC(F)(F)Oc1ccc(Nc2cc(NCCN3CCOCC3)ncn2)cc1.
What is the InChIKey of 6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine?
The InChIKey is DGFBDHCOFRXYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O2/c18-17(19,20)27-14-3-1-13(2-4-14)24-16-11-15(22-12-23-16)21-5-6-25-7-9-26-10-8-25/h1-4,11-12H,5-10H2,(H2,21,22,23,24).
What are the key properties of 6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine?
6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine has a molecular weight of 383.37 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 5312285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).