N-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-3-yl]methyl]propan-2-amine

C13H19F3N4O — CID 83104206

IUPACN-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1COCCN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-9(2)18-7-10-8-21-6-5-20(10)12-17-4-3-11(19-12)13(14,15)16/h3-4,9-10,18H,5-8H2,1-2H3
InChIKeyHWLVNVIVICBMJZ-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.70
Rot. Bonds4

About N-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-3-yl]methyl]propan-2-amine

N-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-3-yl]methyl]propan-2-amine (PubChem CID 83104206) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-3-yl]methyl]propan-2-amine
PubChem CID83104206
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC NameN-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1COCCN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-9(2)18-7-10-8-21-6-5-20(10)12-17-4-3-11(19-12)13(14,15)16/h3-4,9-10,18H,5-8H2,1-2H3
InChIKeyHWLVNVIVICBMJZ-UHFFFAOYSA-N
XLogP1.70
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-3-yl]methyl]propan-2-amine (CID 83104206) is N-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-3-yl]methyl]propan-2-amine is CC(C)NCC1COCCN1c1nccc(C(F)(F)F)n1.
What is the InChIKey of N-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-3-yl]methyl]propan-2-amine?
The InChIKey is HWLVNVIVICBMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-9(2)18-7-10-8-21-6-5-20(10)12-17-4-3-11(19-12)13(14,15)16/h3-4,9-10,18H,5-8H2,1-2H3.
What are the key properties of N-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-3-yl]methyl]propan-2-amine?
N-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-3-yl]methyl]propan-2-amine has a molecular weight of 304.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 83104206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).