N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine

C18H21F3N4O — CID 56684381

IUPACN-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cccc(C(CNc2nccc(C(F)(F)F)n2)N2CCOCC2)c1
InChIInChI=1S/C18H21F3N4O/c1-13-3-2-4-14(11-13)15(25-7-9-26-10-8-25)12-23-17-22-6-5-16(24-17)18(19,20)21/h2-6,11,15H,7-10,12H2,1H3,(H,22,23,24)
InChIKeyAOEATIVFPCYOGF-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.29
Rot. Bonds5

About N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 56684381) has the molecular formula C18H21F3N4O and a molecular weight of 366.39 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID56684381
Molecular FormulaC18H21F3N4O
Molecular Weight366.39 g/mol
Exact Mass366.17
IUPAC NameN-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cccc(C(CNc2nccc(C(F)(F)F)n2)N2CCOCC2)c1
InChIInChI=1S/C18H21F3N4O/c1-13-3-2-4-14(11-13)15(25-7-9-26-10-8-25)12-23-17-22-6-5-16(24-17)18(19,20)21/h2-6,11,15H,7-10,12H2,1H3,(H,22,23,24)
InChIKeyAOEATIVFPCYOGF-UHFFFAOYSA-N
XLogP3.29
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 56684381) is N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine is Cc1cccc(C(CNc2nccc(C(F)(F)F)n2)N2CCOCC2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is AOEATIVFPCYOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O/c1-13-3-2-4-14(11-13)15(25-7-9-26-10-8-25)12-23-17-22-6-5-16(24-17)18(19,20)21/h2-6,11,15H,7-10,12H2,1H3,(H,22,23,24).
What are the key properties of N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 366.39 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 56684381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).