1-[5-fluoro-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-yl]piperidin-4-amine

C20H23F4N5O — CID 118888697

IUPAC1-[5-fluoro-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-yl]piperidin-4-amine
SMILESNC1CCN(c2ncnc(N3CCOCC3c3ccc(C(F)(F)F)cc3)c2F)CC1
InChIInChI=1S/C20H23F4N5O/c21-17-18(28-7-5-15(25)6-8-28)26-12-27-19(17)29-9-10-30-11-16(29)13-1-3-14(4-2-13)20(22,23)24/h1-4,12,15-16H,5-11,25H2
InChIKeyFSTXRSJLMHDLLK-UHFFFAOYSA-N
MW425.43 g/mol
LogP3.14
Rot. Bonds3

About 1-[5-fluoro-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-yl]piperidin-4-amine

1-[5-fluoro-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-yl]piperidin-4-amine (PubChem CID 118888697) has the molecular formula C20H23F4N5O and a molecular weight of 425.43 g/mol. Its IUPAC name is 1-[5-fluoro-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[5-fluoro-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-yl]piperidin-4-amine
PubChem CID118888697
Molecular FormulaC20H23F4N5O
Molecular Weight425.43 g/mol
Exact Mass425.18
IUPAC Name1-[5-fluoro-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-yl]piperidin-4-amine
SMILESNC1CCN(c2ncnc(N3CCOCC3c3ccc(C(F)(F)F)cc3)c2F)CC1
InChIInChI=1S/C20H23F4N5O/c21-17-18(28-7-5-15(25)6-8-28)26-12-27-19(17)29-9-10-30-11-16(29)13-1-3-14(4-2-13)20(22,23)24/h1-4,12,15-16H,5-11,25H2
InChIKeyFSTXRSJLMHDLLK-UHFFFAOYSA-N
XLogP3.14
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-yl]piperidin-4-amine?
The IUPAC name of 1-[5-fluoro-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-yl]piperidin-4-amine (CID 118888697) is 1-[5-fluoro-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-yl]piperidin-4-amine.
What is the SMILES notation for 1-[5-fluoro-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-yl]piperidin-4-amine?
The canonical SMILES for 1-[5-fluoro-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-yl]piperidin-4-amine is NC1CCN(c2ncnc(N3CCOCC3c3ccc(C(F)(F)F)cc3)c2F)CC1.
What is the InChIKey of 1-[5-fluoro-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-yl]piperidin-4-amine?
The InChIKey is FSTXRSJLMHDLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F4N5O/c21-17-18(28-7-5-15(25)6-8-28)26-12-27-19(17)29-9-10-30-11-16(29)13-1-3-14(4-2-13)20(22,23)24/h1-4,12,15-16H,5-11,25H2.
What are the key properties of 1-[5-fluoro-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-yl]piperidin-4-amine?
1-[5-fluoro-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-yl]piperidin-4-amine has a molecular weight of 425.43 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-yl]piperidin-4-amine is sourced from PubChem (CID 118888697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).