4-morpholin-4-yl-N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyrimidin-2-amine

C20H24F3N5O2 — CID 166100929

IUPAC4-morpholin-4-yl-N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyrimidin-2-amine
SMILESFC(F)(F)c1ccc(CO[C@@H]2CNC[C@H]2Nc2nccc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H24F3N5O2/c21-20(22,23)15-3-1-14(2-4-15)13-30-17-12-24-11-16(17)26-19-25-6-5-18(27-19)28-7-9-29-10-8-28/h1-6,16-17,24H,7-13H2,(H,25,26,27)/t16-,17-/m1/s1
InChIKeyDEZDXJHWDXRPAS-IAGOWNOFSA-N
MW423.44 g/mol
LogP2.30
Rot. Bonds6

About 4-morpholin-4-yl-N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyrimidin-2-amine

4-morpholin-4-yl-N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyrimidin-2-amine (PubChem CID 166100929) has the molecular formula C20H24F3N5O2 and a molecular weight of 423.44 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyrimidin-2-amine
PubChem CID166100929
Molecular FormulaC20H24F3N5O2
Molecular Weight423.44 g/mol
Exact Mass423.19
IUPAC Name4-morpholin-4-yl-N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyrimidin-2-amine
SMILESFC(F)(F)c1ccc(CO[C@@H]2CNC[C@H]2Nc2nccc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H24F3N5O2/c21-20(22,23)15-3-1-14(2-4-15)13-30-17-12-24-11-16(17)26-19-25-6-5-18(27-19)28-7-9-29-10-8-28/h1-6,16-17,24H,7-13H2,(H,25,26,27)/t16-,17-/m1/s1
InChIKeyDEZDXJHWDXRPAS-IAGOWNOFSA-N
XLogP2.30
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-morpholin-4-yl-N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyrimidin-2-amine (CID 166100929) is 4-morpholin-4-yl-N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-morpholin-4-yl-N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-morpholin-4-yl-N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyrimidin-2-amine is FC(F)(F)c1ccc(CO[C@@H]2CNC[C@H]2Nc2nccc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-morpholin-4-yl-N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyrimidin-2-amine?
The InChIKey is DEZDXJHWDXRPAS-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H24F3N5O2/c21-20(22,23)15-3-1-14(2-4-15)13-30-17-12-24-11-16(17)26-19-25-6-5-18(27-19)28-7-9-29-10-8-28/h1-6,16-17,24H,7-13H2,(H,25,26,27)/t16-,17-/m1/s1.
What are the key properties of 4-morpholin-4-yl-N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyrimidin-2-amine?
4-morpholin-4-yl-N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyrimidin-2-amine has a molecular weight of 423.44 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 166100929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).