6-morpholin-4-yl-N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine

C21H26F3N5O2 — CID 171359163

IUPAC6-morpholin-4-yl-N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc([C@H](CNc2cc(N3CCOCC3)ncn2)N2CCOCC2)cc1
InChIInChI=1S/C21H26F3N5O2/c22-21(23,24)17-3-1-16(2-4-17)18(28-5-9-30-10-6-28)14-25-19-13-20(27-15-26-19)29-7-11-31-12-8-29/h1-4,13,15,18H,5-12,14H2,(H,25,26,27)/t18-/m0/s1
InChIKeyDNNYFSNJVDHECI-SFHVURJKSA-N
MW437.47 g/mol
LogP2.82
Rot. Bonds6

About 6-morpholin-4-yl-N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine

6-morpholin-4-yl-N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine (PubChem CID 171359163) has the molecular formula C21H26F3N5O2 and a molecular weight of 437.47 g/mol. Its IUPAC name is 6-morpholin-4-yl-N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-morpholin-4-yl-N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine
PubChem CID171359163
Molecular FormulaC21H26F3N5O2
Molecular Weight437.47 g/mol
Exact Mass437.20
IUPAC Name6-morpholin-4-yl-N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc([C@H](CNc2cc(N3CCOCC3)ncn2)N2CCOCC2)cc1
InChIInChI=1S/C21H26F3N5O2/c22-21(23,24)17-3-1-16(2-4-17)18(28-5-9-30-10-6-28)14-25-19-13-20(27-15-26-19)29-7-11-31-12-8-29/h1-4,13,15,18H,5-12,14H2,(H,25,26,27)/t18-/m0/s1
InChIKeyDNNYFSNJVDHECI-SFHVURJKSA-N
XLogP2.82
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine?
The IUPAC name of 6-morpholin-4-yl-N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine (CID 171359163) is 6-morpholin-4-yl-N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-morpholin-4-yl-N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-morpholin-4-yl-N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine is FC(F)(F)c1ccc([C@H](CNc2cc(N3CCOCC3)ncn2)N2CCOCC2)cc1.
What is the InChIKey of 6-morpholin-4-yl-N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine?
The InChIKey is DNNYFSNJVDHECI-SFHVURJKSA-N. The full InChI is InChI=1S/C21H26F3N5O2/c22-21(23,24)17-3-1-16(2-4-17)18(28-5-9-30-10-6-28)14-25-19-13-20(27-15-26-19)29-7-11-31-12-8-29/h1-4,13,15,18H,5-12,14H2,(H,25,26,27)/t18-/m0/s1.
What are the key properties of 6-morpholin-4-yl-N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine?
6-morpholin-4-yl-N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine has a molecular weight of 437.47 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 171359163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).