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

C23H24F3N5O2 — CID 59982998

IUPAC6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
SMILESFC(F)(F)Oc1ccc(Nc2cc(NCCN3CCOCC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H24F3N5O2/c24-23(25,26)33-19-8-6-18(7-9-19)28-21-16-20(27-10-11-31-12-14-32-15-13-31)29-22(30-21)17-4-2-1-3-5-17/h1-9,16H,10-15H2,(H2,27,28,29,30)
InChIKeySJPAJRUKFBAMKL-UHFFFAOYSA-N
MW459.47 g/mol
LogP4.53
Rot. Bonds8

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

6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine (PubChem CID 59982998) has the molecular formula C23H24F3N5O2 and a molecular weight of 459.47 g/mol. Its IUPAC name is 6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
PubChem CID59982998
Molecular FormulaC23H24F3N5O2
Molecular Weight459.47 g/mol
Exact Mass459.19
IUPAC Name6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
SMILESFC(F)(F)Oc1ccc(Nc2cc(NCCN3CCOCC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H24F3N5O2/c24-23(25,26)33-19-8-6-18(7-9-19)28-21-16-20(27-10-11-31-12-14-32-15-13-31)29-22(30-21)17-4-2-1-3-5-17/h1-9,16H,10-15H2,(H2,27,28,29,30)
InChIKeySJPAJRUKFBAMKL-UHFFFAOYSA-N
XLogP4.53
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 54.53
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)-2-phenyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine (CID 59982998) is 6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine is FC(F)(F)Oc1ccc(Nc2cc(NCCN3CCOCC3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine?
The InChIKey is SJPAJRUKFBAMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O2/c24-23(25,26)33-19-8-6-18(7-9-19)28-21-16-20(27-10-11-31-12-14-32-15-13-31)29-22(30-21)17-4-2-1-3-5-17/h1-9,16H,10-15H2,(H2,27,28,29,30).
What are the key properties of 6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine?
6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine has a molecular weight of 459.47 g/mol, XLogP of 4.53, 8 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)-2-phenyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 59982998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).