5-[4-(difluoromethoxy)phenyl]-N-(4-methylcyclohexyl)-4-morpholin-4-ylpyrimidin-2-amine

C22H28F2N4O2 — CID 46239582

IUPAC5-[4-(difluoromethoxy)phenyl]-N-(4-methylcyclohexyl)-4-morpholin-4-ylpyrimidin-2-amine
SMILESCC1CCC(Nc2ncc(-c3ccc(OC(F)F)cc3)c(N3CCOCC3)n2)CC1
InChIInChI=1S/C22H28F2N4O2/c1-15-2-6-17(7-3-15)26-22-25-14-19(20(27-22)28-10-12-29-13-11-28)16-4-8-18(9-5-16)30-21(23)24/h4-5,8-9,14-15,17,21H,2-3,6-7,10-13H2,1H3,(H,25,26,27)
InChIKeyMOQGLJNZYKHUPT-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.57
Rot. Bonds6

About 5-[4-(difluoromethoxy)phenyl]-N-(4-methylcyclohexyl)-4-morpholin-4-ylpyrimidin-2-amine

5-[4-(difluoromethoxy)phenyl]-N-(4-methylcyclohexyl)-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 46239582) has the molecular formula C22H28F2N4O2 and a molecular weight of 418.49 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-N-(4-methylcyclohexyl)-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-N-(4-methylcyclohexyl)-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID46239582
Molecular FormulaC22H28F2N4O2
Molecular Weight418.49 g/mol
Exact Mass418.22
IUPAC Name5-[4-(difluoromethoxy)phenyl]-N-(4-methylcyclohexyl)-4-morpholin-4-ylpyrimidin-2-amine
SMILESCC1CCC(Nc2ncc(-c3ccc(OC(F)F)cc3)c(N3CCOCC3)n2)CC1
InChIInChI=1S/C22H28F2N4O2/c1-15-2-6-17(7-3-15)26-22-25-14-19(20(27-22)28-10-12-29-13-11-28)16-4-8-18(9-5-16)30-21(23)24/h4-5,8-9,14-15,17,21H,2-3,6-7,10-13H2,1H3,(H,25,26,27)
InChIKeyMOQGLJNZYKHUPT-UHFFFAOYSA-N
XLogP4.57
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-N-(4-methylcyclohexyl)-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-N-(4-methylcyclohexyl)-4-morpholin-4-ylpyrimidin-2-amine (CID 46239582) is 5-[4-(difluoromethoxy)phenyl]-N-(4-methylcyclohexyl)-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-N-(4-methylcyclohexyl)-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-N-(4-methylcyclohexyl)-4-morpholin-4-ylpyrimidin-2-amine is CC1CCC(Nc2ncc(-c3ccc(OC(F)F)cc3)c(N3CCOCC3)n2)CC1.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-N-(4-methylcyclohexyl)-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is MOQGLJNZYKHUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N4O2/c1-15-2-6-17(7-3-15)26-22-25-14-19(20(27-22)28-10-12-29-13-11-28)16-4-8-18(9-5-16)30-21(23)24/h4-5,8-9,14-15,17,21H,2-3,6-7,10-13H2,1H3,(H,25,26,27).
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-N-(4-methylcyclohexyl)-4-morpholin-4-ylpyrimidin-2-amine?
5-[4-(difluoromethoxy)phenyl]-N-(4-methylcyclohexyl)-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 418.49 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-N-(4-methylcyclohexyl)-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 46239582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).