6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-amine

C16H17F3N4O2 — CID 122282584

IUPAC6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-amine
SMILESFC(F)(F)Oc1ccc(CNc2cc(N3CCOCC3)ncn2)cc1
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)25-13-3-1-12(2-4-13)10-20-14-9-15(22-11-21-14)23-5-7-24-8-6-23/h1-4,9,11H,5-8,10H2,(H,20,21,22)
InChIKeyHEARIBIIYNOZPF-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.82
Rot. Bonds5

About 6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-amine

6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-amine (PubChem CID 122282584) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is 6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-amine
PubChem CID122282584
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-amine
SMILESFC(F)(F)Oc1ccc(CNc2cc(N3CCOCC3)ncn2)cc1
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)25-13-3-1-12(2-4-13)10-20-14-9-15(22-11-21-14)23-5-7-24-8-6-23/h1-4,9,11H,5-8,10H2,(H,20,21,22)
InChIKeyHEARIBIIYNOZPF-UHFFFAOYSA-N
XLogP2.82
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-amine (CID 122282584) is 6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-amine is FC(F)(F)Oc1ccc(CNc2cc(N3CCOCC3)ncn2)cc1.
What is the InChIKey of 6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is HEARIBIIYNOZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c17-16(18,19)25-13-3-1-12(2-4-13)10-20-14-9-15(22-11-21-14)23-5-7-24-8-6-23/h1-4,9,11H,5-8,10H2,(H,20,21,22).
What are the key properties of 6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-amine?
6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 354.33 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 122282584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).