[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholin-2-yl]-morpholin-4-ylmethanone

C23H28F3N7O4 — CID 59507957

IUPAC[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholin-2-yl]-morpholin-4-ylmethanone
SMILESNc1cc(C(F)(F)F)c(-c2cc(N3CCOC(C(=O)N4CCOCC4)C3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C23H28F3N7O4/c24-23(25,26)16-11-19(27)28-13-15(16)17-12-20(30-22(29-17)32-3-8-36-9-4-32)33-5-10-37-18(14-33)21(34)31-1-6-35-7-2-31/h11-13,18H,1-10,14H2,(H2,27,28)
InChIKeyCKVDMRMBRHPWEQ-UHFFFAOYSA-N
MW523.52 g/mol
LogP1.04
Rot. Bonds4

About [4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholin-2-yl]-morpholin-4-ylmethanone

[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholin-2-yl]-morpholin-4-ylmethanone (PubChem CID 59507957) has the molecular formula C23H28F3N7O4 and a molecular weight of 523.52 g/mol. Its IUPAC name is [4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholin-2-yl]-morpholin-4-ylmethanone
PubChem CID59507957
Molecular FormulaC23H28F3N7O4
Molecular Weight523.52 g/mol
Exact Mass523.22
IUPAC Name[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholin-2-yl]-morpholin-4-ylmethanone
SMILESNc1cc(C(F)(F)F)c(-c2cc(N3CCOC(C(=O)N4CCOCC4)C3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C23H28F3N7O4/c24-23(25,26)16-11-19(27)28-13-15(16)17-12-20(30-22(29-17)32-3-8-36-9-4-32)33-5-10-37-18(14-33)21(34)31-1-6-35-7-2-31/h11-13,18H,1-10,14H2,(H2,27,28)
InChIKeyCKVDMRMBRHPWEQ-UHFFFAOYSA-N
XLogP1.04
TPSA119.17 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.52
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of [4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholin-2-yl]-morpholin-4-ylmethanone (CID 59507957) is [4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholin-2-yl]-morpholin-4-ylmethanone is Nc1cc(C(F)(F)F)c(-c2cc(N3CCOC(C(=O)N4CCOCC4)C3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of [4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is CKVDMRMBRHPWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N7O4/c24-23(25,26)16-11-19(27)28-13-15(16)17-12-20(30-22(29-17)32-3-8-36-9-4-32)33-5-10-37-18(14-33)21(34)31-1-6-35-7-2-31/h11-13,18H,1-10,14H2,(H2,27,28).
What are the key properties of [4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholin-2-yl]-morpholin-4-ylmethanone?
[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 523.52 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 59507957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).