5-[5-(difluoromethyl)-4,6-dimorpholin-4-ylpyrimidin-2-yl]pyrimidin-2-amine

C17H21F2N7O2 — CID 175844623

IUPAC5-[5-(difluoromethyl)-4,6-dimorpholin-4-ylpyrimidin-2-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)c(C(F)F)c(N3CCOCC3)n2)cn1
InChIInChI=1S/C17H21F2N7O2/c18-13(19)12-15(25-1-5-27-6-2-25)23-14(11-9-21-17(20)22-10-11)24-16(12)26-3-7-28-8-4-26/h9-10,13H,1-8H2,(H2,20,21,22)
InChIKeyIFIGFPISHLNDGV-UHFFFAOYSA-N
MW393.40 g/mol
LogP1.13
Rot. Bonds4

About 5-[5-(difluoromethyl)-4,6-dimorpholin-4-ylpyrimidin-2-yl]pyrimidin-2-amine

5-[5-(difluoromethyl)-4,6-dimorpholin-4-ylpyrimidin-2-yl]pyrimidin-2-amine (PubChem CID 175844623) has the molecular formula C17H21F2N7O2 and a molecular weight of 393.40 g/mol. Its IUPAC name is 5-[5-(difluoromethyl)-4,6-dimorpholin-4-ylpyrimidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-(difluoromethyl)-4,6-dimorpholin-4-ylpyrimidin-2-yl]pyrimidin-2-amine
PubChem CID175844623
Molecular FormulaC17H21F2N7O2
Molecular Weight393.40 g/mol
Exact Mass393.17
IUPAC Name5-[5-(difluoromethyl)-4,6-dimorpholin-4-ylpyrimidin-2-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)c(C(F)F)c(N3CCOCC3)n2)cn1
InChIInChI=1S/C17H21F2N7O2/c18-13(19)12-15(25-1-5-27-6-2-25)23-14(11-9-21-17(20)22-10-11)24-16(12)26-3-7-28-8-4-26/h9-10,13H,1-8H2,(H2,20,21,22)
InChIKeyIFIGFPISHLNDGV-UHFFFAOYSA-N
XLogP1.13
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(difluoromethyl)-4,6-dimorpholin-4-ylpyrimidin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-[5-(difluoromethyl)-4,6-dimorpholin-4-ylpyrimidin-2-yl]pyrimidin-2-amine (CID 175844623) is 5-[5-(difluoromethyl)-4,6-dimorpholin-4-ylpyrimidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-(difluoromethyl)-4,6-dimorpholin-4-ylpyrimidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-(difluoromethyl)-4,6-dimorpholin-4-ylpyrimidin-2-yl]pyrimidin-2-amine is Nc1ncc(-c2nc(N3CCOCC3)c(C(F)F)c(N3CCOCC3)n2)cn1.
What is the InChIKey of 5-[5-(difluoromethyl)-4,6-dimorpholin-4-ylpyrimidin-2-yl]pyrimidin-2-amine?
The InChIKey is IFIGFPISHLNDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N7O2/c18-13(19)12-15(25-1-5-27-6-2-25)23-14(11-9-21-17(20)22-10-11)24-16(12)26-3-7-28-8-4-26/h9-10,13H,1-8H2,(H2,20,21,22).
What are the key properties of 5-[5-(difluoromethyl)-4,6-dimorpholin-4-ylpyrimidin-2-yl]pyrimidin-2-amine?
5-[5-(difluoromethyl)-4,6-dimorpholin-4-ylpyrimidin-2-yl]pyrimidin-2-amine has a molecular weight of 393.40 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(difluoromethyl)-4,6-dimorpholin-4-ylpyrimidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 175844623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).