4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine

C20H26F3N7O2 — CID 78320151

IUPAC4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(NCCN3CCOCC3)n2)cn1
InChIInChI=1S/C20H26F3N7O2/c21-20(22,23)15-11-17(24)26-13-14(15)16-12-18(30-5-9-32-10-6-30)28-19(27-16)25-1-2-29-3-7-31-8-4-29/h11-13H,1-10H2,(H2,24,26)(H,25,27,28)
InChIKeyBQVDRPYOCLTYOC-UHFFFAOYSA-N
MW453.47 g/mol
LogP1.72
Rot. Bonds6

About 4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine

4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine (PubChem CID 78320151) has the molecular formula C20H26F3N7O2 and a molecular weight of 453.47 g/mol. Its IUPAC name is 4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
PubChem CID78320151
Molecular FormulaC20H26F3N7O2
Molecular Weight453.47 g/mol
Exact Mass453.21
IUPAC Name4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(NCCN3CCOCC3)n2)cn1
InChIInChI=1S/C20H26F3N7O2/c21-20(22,23)15-11-17(24)26-13-14(15)16-12-18(30-5-9-32-10-6-30)28-19(27-16)25-1-2-29-3-7-31-8-4-29/h11-13H,1-10H2,(H2,24,26)(H,25,27,28)
InChIKeyBQVDRPYOCLTYOC-UHFFFAOYSA-N
XLogP1.72
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine?
The IUPAC name of 4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine (CID 78320151) is 4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine is Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(NCCN3CCOCC3)n2)cn1.
What is the InChIKey of 4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine?
The InChIKey is BQVDRPYOCLTYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N7O2/c21-20(22,23)15-11-17(24)26-13-14(15)16-12-18(30-5-9-32-10-6-30)28-19(27-16)25-1-2-29-3-7-31-8-4-29/h11-13H,1-10H2,(H2,24,26)(H,25,27,28).
What are the key properties of 4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine?
4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine has a molecular weight of 453.47 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 78320151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).