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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Related Compounds

N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-4-(trifluoromethoxy)benzamide
CID 122327974
N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297696
N-[(4-fluorophenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859720
N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-4-(trifluoromethoxy)benzamide
CID 90545034
2-(4-methoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544086
N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856024
6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine
CID 112857039
2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethanol
CID 24880632
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine
CID 86816281
1-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 90545107
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297513
2-(4-fluorophenoxy)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122327933

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).