4-(difluoromethyl)-3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine

C18H22F2N6O2 — CID 172825051

IUPAC4-(difluoromethyl)-3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine
SMILESNc1nccc(C(F)F)c1-c1cc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H22F2N6O2/c19-16(20)12-1-2-22-17(21)15(12)13-11-14(25-3-7-27-8-4-25)24-18(23-13)26-5-9-28-10-6-26/h1-2,11,16H,3-10H2,(H2,21,22)
InChIKeyUTAUNEGBVZCDBS-UHFFFAOYSA-N
MW392.41 g/mol
LogP1.73
Rot. Bonds4

About 4-(difluoromethyl)-3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine

4-(difluoromethyl)-3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine (PubChem CID 172825051) has the molecular formula C18H22F2N6O2 and a molecular weight of 392.41 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine
PubChem CID172825051
Molecular FormulaC18H22F2N6O2
Molecular Weight392.41 g/mol
Exact Mass392.18
IUPAC Name4-(difluoromethyl)-3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine
SMILESNc1nccc(C(F)F)c1-c1cc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H22F2N6O2/c19-16(20)12-1-2-22-17(21)15(12)13-11-14(25-3-7-27-8-4-25)24-18(23-13)26-5-9-28-10-6-26/h1-2,11,16H,3-10H2,(H2,21,22)
InChIKeyUTAUNEGBVZCDBS-UHFFFAOYSA-N
XLogP1.73
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylaniline
CID 90408360
4-[4-(4-methyl-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]morpholine
CID 174958810
5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;methane
CID 144743484
4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 67897493
4-(difluoromethyl)-5-[6-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]pyridin-2-amine
CID 121334418
4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyridin-2-amine;4-(difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4-morpholin-4-yl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine
CID 158059249
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-2-pyridinyl]urea
CID 145053350
4-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)piperazine-1-carbaldehyde
CID 112935367
1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidin-4-ol
CID 68870383
4-[4-(4-fluoro-2-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 58507943
5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridine-2-carboxamide
CID 151222565

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine?
The IUPAC name of 4-(difluoromethyl)-3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine (CID 172825051) is 4-(difluoromethyl)-3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine is Nc1nccc(C(F)F)c1-c1cc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(difluoromethyl)-3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine?
The InChIKey is UTAUNEGBVZCDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N6O2/c19-16(20)12-1-2-22-17(21)15(12)13-11-14(25-3-7-27-8-4-25)24-18(23-13)26-5-9-28-10-6-26/h1-2,11,16H,3-10H2,(H2,21,22).
What are the key properties of 4-(difluoromethyl)-3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine?
4-(difluoromethyl)-3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine has a molecular weight of 392.41 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine is sourced from PubChem (CID 172825051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).