4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine

C19H24F2N6O2 — CID 121334420

IUPAC4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
SMILESC[C@H]1COCCN1c1cc(-c2cnc(N)cc2C(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C19H24F2N6O2/c1-12-11-29-7-4-27(12)17-9-15(14-10-23-16(22)8-13(14)18(20)21)24-19(25-17)26-2-5-28-6-3-26/h8-10,12,18H,2-7,11H2,1H3,(H2,22,23)/t12-/m0/s1
InChIKeyVOWMWTUHMOOQJF-LBPRGKRZSA-N
MW406.44 g/mol
LogP2.12
Rot. Bonds4

About 4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine

4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine (PubChem CID 121334420) has the molecular formula C19H24F2N6O2 and a molecular weight of 406.44 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
PubChem CID121334420
Molecular FormulaC19H24F2N6O2
Molecular Weight406.44 g/mol
Exact Mass406.19
IUPAC Name4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
SMILESC[C@H]1COCCN1c1cc(-c2cnc(N)cc2C(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C19H24F2N6O2/c1-12-11-29-7-4-27(12)17-9-15(14-10-23-16(22)8-13(14)18(20)21)24-19(25-17)26-2-5-28-6-3-26/h8-10,12,18H,2-7,11H2,1H3,(H2,22,23)/t12-/m0/s1
InChIKeyVOWMWTUHMOOQJF-LBPRGKRZSA-N
XLogP2.12
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine?
The IUPAC name of 4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine (CID 121334420) is 4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine is C[C@H]1COCCN1c1cc(-c2cnc(N)cc2C(F)F)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine?
The InChIKey is VOWMWTUHMOOQJF-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H24F2N6O2/c1-12-11-29-7-4-27(12)17-9-15(14-10-23-16(22)8-13(14)18(20)21)24-19(25-17)26-2-5-28-6-3-26/h8-10,12,18H,2-7,11H2,1H3,(H2,22,23)/t12-/m0/s1.
What are the key properties of 4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine?
4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine has a molecular weight of 406.44 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 121334420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).