N-(2,6-difluorophenyl)-4-morpholin-4-yl-6-phenylpyrimidin-2-amine

C20H18F2N4O — CID 112935473

IUPACN-(2,6-difluorophenyl)-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
SMILESFc1cccc(F)c1Nc1nc(-c2ccccc2)cc(N2CCOCC2)n1
InChIInChI=1S/C20H18F2N4O/c21-15-7-4-8-16(22)19(15)25-20-23-17(14-5-2-1-3-6-14)13-18(24-20)26-9-11-27-12-10-26/h1-8,13H,9-12H2,(H,23,24,25)
InChIKeyNQCQAAOTBRGKJH-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.00
Rot. Bonds4

About N-(2,6-difluorophenyl)-4-morpholin-4-yl-6-phenylpyrimidin-2-amine

N-(2,6-difluorophenyl)-4-morpholin-4-yl-6-phenylpyrimidin-2-amine (PubChem CID 112935473) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-4-morpholin-4-yl-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
PubChem CID112935473
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC NameN-(2,6-difluorophenyl)-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
SMILESFc1cccc(F)c1Nc1nc(-c2ccccc2)cc(N2CCOCC2)n1
InChIInChI=1S/C20H18F2N4O/c21-15-7-4-8-16(22)19(15)25-20-23-17(14-5-2-1-3-6-14)13-18(24-20)26-9-11-27-12-10-26/h1-8,13H,9-12H2,(H,23,24,25)
InChIKeyNQCQAAOTBRGKJH-UHFFFAOYSA-N
XLogP4.00
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936484
N-(2-fluorophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934156
N-[(4-chlorophenyl)methyl]-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
CID 112935378
4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidin-2-amine
CID 112935363
N-(2-bromophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934190
N-methyl-4-morpholin-4-yl-N,6-diphenylpyrimidin-2-amine
CID 112935415
4-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)piperazine-1-carbaldehyde
CID 112935367
4-(6-phenylpyrimidin-4-yl)morpholine
CID 1082059
4-[6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]morpholine
CID 5091017
4-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)morpholine;dihydrochloride
CID 165432105
N-[(4-fluorophenyl)methyl]-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112934497
8-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 112935398

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-4-morpholin-4-yl-6-phenylpyrimidin-2-amine?
The IUPAC name of N-(2,6-difluorophenyl)-4-morpholin-4-yl-6-phenylpyrimidin-2-amine (CID 112935473) is N-(2,6-difluorophenyl)-4-morpholin-4-yl-6-phenylpyrimidin-2-amine.
What is the SMILES notation for N-(2,6-difluorophenyl)-4-morpholin-4-yl-6-phenylpyrimidin-2-amine?
The canonical SMILES for N-(2,6-difluorophenyl)-4-morpholin-4-yl-6-phenylpyrimidin-2-amine is Fc1cccc(F)c1Nc1nc(-c2ccccc2)cc(N2CCOCC2)n1.
What is the InChIKey of N-(2,6-difluorophenyl)-4-morpholin-4-yl-6-phenylpyrimidin-2-amine?
The InChIKey is NQCQAAOTBRGKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O/c21-15-7-4-8-16(22)19(15)25-20-23-17(14-5-2-1-3-6-14)13-18(24-20)26-9-11-27-12-10-26/h1-8,13H,9-12H2,(H,23,24,25).
What are the key properties of N-(2,6-difluorophenyl)-4-morpholin-4-yl-6-phenylpyrimidin-2-amine?
N-(2,6-difluorophenyl)-4-morpholin-4-yl-6-phenylpyrimidin-2-amine has a molecular weight of 368.39 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-4-morpholin-4-yl-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 112935473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).