5-[2,6-bis(2,2-dimethylmorpholin-4-yl)pyrimidin-4-yl]-4-(difluoromethyl)pyridin-2-amine

C22H30F2N6O2 — CID 137453941

IUPAC5-[2,6-bis(2,2-dimethylmorpholin-4-yl)pyrimidin-4-yl]-4-(difluoromethyl)pyridin-2-amine
SMILESCC1(C)CN(c2cc(-c3cnc(N)cc3C(F)F)nc(N3CCOC(C)(C)C3)n2)CCO1
InChIInChI=1S/C22H30F2N6O2/c1-21(2)12-29(5-7-31-21)18-10-16(15-11-26-17(25)9-14(15)19(23)24)27-20(28-18)30-6-8-32-22(3,4)13-30/h9-11,19H,5-8,12-13H2,1-4H3,(H2,25,26)
InChIKeyFSCFYRDBJQSOIH-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.29
Rot. Bonds4

About 5-[2,6-bis(2,2-dimethylmorpholin-4-yl)pyrimidin-4-yl]-4-(difluoromethyl)pyridin-2-amine

5-[2,6-bis(2,2-dimethylmorpholin-4-yl)pyrimidin-4-yl]-4-(difluoromethyl)pyridin-2-amine (PubChem CID 137453941) has the molecular formula C22H30F2N6O2 and a molecular weight of 448.52 g/mol. Its IUPAC name is 5-[2,6-bis(2,2-dimethylmorpholin-4-yl)pyrimidin-4-yl]-4-(difluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[2,6-bis(2,2-dimethylmorpholin-4-yl)pyrimidin-4-yl]-4-(difluoromethyl)pyridin-2-amine
PubChem CID137453941
Molecular FormulaC22H30F2N6O2
Molecular Weight448.52 g/mol
Exact Mass448.24
IUPAC Name5-[2,6-bis(2,2-dimethylmorpholin-4-yl)pyrimidin-4-yl]-4-(difluoromethyl)pyridin-2-amine
SMILESCC1(C)CN(c2cc(-c3cnc(N)cc3C(F)F)nc(N3CCOC(C)(C)C3)n2)CCO1
InChIInChI=1S/C22H30F2N6O2/c1-21(2)12-29(5-7-31-21)18-10-16(15-11-26-17(25)9-14(15)19(23)24)27-20(28-18)30-6-8-32-22(3,4)13-30/h9-11,19H,5-8,12-13H2,1-4H3,(H2,25,26)
InChIKeyFSCFYRDBJQSOIH-UHFFFAOYSA-N
XLogP3.29
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2,6-bis(2,2-dimethylmorpholin-4-yl)pyrimidin-4-yl]-4-(difluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[2,6-bis(2,2-dimethylmorpholin-4-yl)pyrimidin-4-yl]-4-(difluoromethyl)pyridin-2-amine (CID 137453941) is 5-[2,6-bis(2,2-dimethylmorpholin-4-yl)pyrimidin-4-yl]-4-(difluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[2,6-bis(2,2-dimethylmorpholin-4-yl)pyrimidin-4-yl]-4-(difluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[2,6-bis(2,2-dimethylmorpholin-4-yl)pyrimidin-4-yl]-4-(difluoromethyl)pyridin-2-amine is CC1(C)CN(c2cc(-c3cnc(N)cc3C(F)F)nc(N3CCOC(C)(C)C3)n2)CCO1.
What is the InChIKey of 5-[2,6-bis(2,2-dimethylmorpholin-4-yl)pyrimidin-4-yl]-4-(difluoromethyl)pyridin-2-amine?
The InChIKey is FSCFYRDBJQSOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F2N6O2/c1-21(2)12-29(5-7-31-21)18-10-16(15-11-26-17(25)9-14(15)19(23)24)27-20(28-18)30-6-8-32-22(3,4)13-30/h9-11,19H,5-8,12-13H2,1-4H3,(H2,25,26).
What are the key properties of 5-[2,6-bis(2,2-dimethylmorpholin-4-yl)pyrimidin-4-yl]-4-(difluoromethyl)pyridin-2-amine?
5-[2,6-bis(2,2-dimethylmorpholin-4-yl)pyrimidin-4-yl]-4-(difluoromethyl)pyridin-2-amine has a molecular weight of 448.52 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-bis(2,2-dimethylmorpholin-4-yl)pyrimidin-4-yl]-4-(difluoromethyl)pyridin-2-amine is sourced from PubChem (CID 137453941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).