N-acetyl-N-[4-(4-cyano-3,5-difluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]acetamide;N-[4-(4-cyano-3,5-difluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]acetamide

C36H32F4N10O5 — CID 159983136

IUPACN-acetyl-N-[4-(4-cyano-3,5-difluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]acetamide;N-[4-(4-cyano-3,5-difluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]acetamide
SMILESCC(=O)N(C(C)=O)c1nc(-c2cc(F)c(C#N)c(F)c2)cc(N2CCOCC2)n1.CC(=O)Nc1nc(-c2cc(F)c(C#N)c(F)c2)cc(N2CCOCC2)n1
InChIInChI=1S/C19H17F2N5O3.C17H15F2N5O2/c1-11(27)26(12(2)28)19-23-17(9-18(24-19)25-3-5-29-6-4-25)13-7-15(20)14(10-22)16(21)8-13;1-10(25)21-17-22-15(8-16(23-17)24-2-4-26-5-3-24)11-6-13(18)12(9-20)14(19)7-11/h7-9H,3-6H2,1-2H3;6-8H,2-5H2,1H3,(H,21,22,23,25)
InChIKeyOGAKCNCFTXCGCK-UHFFFAOYSA-N
MW760.71 g/mol
LogP4.12
Rot. Bonds6

About N-acetyl-N-[4-(4-cyano-3,5-difluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]acetamide;N-[4-(4-cyano-3,5-difluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]acetamide

N-acetyl-N-[4-(4-cyano-3,5-difluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]acetamide;N-[4-(4-cyano-3,5-difluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]acetamide (PubChem CID 159983136) has the molecular formula C36H32F4N10O5 and a molecular weight of 760.71 g/mol. Its IUPAC name is N-acetyl-N-[4-(4-cyano-3,5-difluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]acetamide;N-[4-(4-cyano-3,5-difluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[4-(4-cyano-3,5-difluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]acetamide;N-[4-(4-cyano-3,5-difluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]acetamide
PubChem CID159983136
Molecular FormulaC36H32F4N10O5
Molecular Weight760.71 g/mol
Exact Mass760.25
IUPAC NameN-acetyl-N-[4-(4-cyano-3,5-difluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]acetamide;N-[4-(4-cyano-3,5-difluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]acetamide
SMILESCC(=O)N(C(C)=O)c1nc(-c2cc(F)c(C#N)c(F)c2)cc(N2CCOCC2)n1.CC(=O)Nc1nc(-c2cc(F)c(C#N)c(F)c2)cc(N2CCOCC2)n1
InChIInChI=1S/C19H17F2N5O3.C17H15F2N5O2/c1-11(27)26(12(2)28)19-23-17(9-18(24-19)25-3-5-29-6-4-25)13-7-15(20)14(10-22)16(21)8-13;1-10(25)21-17-22-15(8-16(23-17)24-2-4-26-5-3-24)11-6-13(18)12(9-20)14(19)7-11/h7-9H,3-6H2,1-2H3;6-8H,2-5H2,1H3,(H,21,22,23,25)
InChIKeyOGAKCNCFTXCGCK-UHFFFAOYSA-N
XLogP4.12
TPSA190.56 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.71
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze N-acetyl-N-[4-(4-cyano-3,5-difluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]acetamide;N-[4-(4-cyano-3,5-difluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]acetamide with MolForge

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Related Compounds

4-[6-[(3R)-3-ethylmorpholin-4-yl]-2-(methylamino)pyrimidin-4-yl]-2,6-difluorobenzonitrile
CID 58504475
tert-butyl N-[2-[[4-(4-cyanophenyl)-6-morpholin-4-ylpyrimidin-2-yl]amino]ethyl]carbamate
CID 131723670
N-(2,6-difluorophenyl)-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
CID 112935473
N-[4-(4-amino-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]-N-methylacetamide
CID 89065913
2-ethoxy-6-fluoro-4-[2-(methylamino)-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]benzonitrile
CID 76807029
propan-2-yl 2-[[6-morpholin-4-yl-2-[(2-oxo-2-propan-2-yloxyacetyl)amino]pyrimidin-4-yl]amino]-2-oxoacetate
CID 14097514
N-methyl-4-morpholin-4-yl-N,6-diphenylpyrimidin-2-amine
CID 112935415
(Z,2E)-N-[3-[2-(dimethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-ethylidene-5-methyl-4-(methylideneamino)hex-3-enamide
CID 130178662
N-(2,4-difluoro-6-morpholin-4-ylphenyl)acetamide
CID 177251713
1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-3-ethylthiourea
CID 100774008
N-benzyl-N-ethyl-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
CID 112935382
N-[(4-chlorophenyl)methyl]-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
CID 112935378

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[4-(4-cyano-3,5-difluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]acetamide;N-[4-(4-cyano-3,5-difluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]acetamide?
The IUPAC name of N-acetyl-N-[4-(4-cyano-3,5-difluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]acetamide;N-[4-(4-cyano-3,5-difluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]acetamide (CID 159983136) is N-acetyl-N-[4-(4-cyano-3,5-difluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]acetamide;N-[4-(4-cyano-3,5-difluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]acetamide.
What is the SMILES notation for N-acetyl-N-[4-(4-cyano-3,5-difluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]acetamide;N-[4-(4-cyano-3,5-difluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]acetamide?
The canonical SMILES for N-acetyl-N-[4-(4-cyano-3,5-difluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]acetamide;N-[4-(4-cyano-3,5-difluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]acetamide is CC(=O)N(C(C)=O)c1nc(-c2cc(F)c(C#N)c(F)c2)cc(N2CCOCC2)n1.CC(=O)Nc1nc(-c2cc(F)c(C#N)c(F)c2)cc(N2CCOCC2)n1.
What is the InChIKey of N-acetyl-N-[4-(4-cyano-3,5-difluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]acetamide;N-[4-(4-cyano-3,5-difluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]acetamide?
The InChIKey is OGAKCNCFTXCGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O3.C17H15F2N5O2/c1-11(27)26(12(2)28)19-23-17(9-18(24-19)25-3-5-29-6-4-25)13-7-15(20)14(10-22)16(21)8-13;1-10(25)21-17-22-15(8-16(23-17)24-2-4-26-5-3-24)11-6-13(18)12(9-20)14(19)7-11/h7-9H,3-6H2,1-2H3;6-8H,2-5H2,1H3,(H,21,22,23,25).
What are the key properties of N-acetyl-N-[4-(4-cyano-3,5-difluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]acetamide;N-[4-(4-cyano-3,5-difluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]acetamide?
N-acetyl-N-[4-(4-cyano-3,5-difluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]acetamide;N-[4-(4-cyano-3,5-difluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]acetamide has a molecular weight of 760.71 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[4-(4-cyano-3,5-difluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]acetamide;N-[4-(4-cyano-3,5-difluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]acetamide is sourced from PubChem (CID 159983136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).