N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4,6-dimethylpyrimidin-2-amine

C18H23FN4O — CID 47021426

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NCC(c2ccc(F)cc2)N2CCOCC2)n1
InChIInChI=1S/C18H23FN4O/c1-13-11-14(2)22-18(21-13)20-12-17(23-7-9-24-10-8-23)15-3-5-16(19)6-4-15/h3-6,11,17H,7-10,12H2,1-2H3,(H,20,21,22)
InChIKeyGCTHLQDWPFOKOI-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.72
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4,6-dimethylpyrimidin-2-amine

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 47021426) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4,6-dimethylpyrimidin-2-amine
PubChem CID47021426
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NCC(c2ccc(F)cc2)N2CCOCC2)n1
InChIInChI=1S/C18H23FN4O/c1-13-11-14(2)22-18(21-13)20-12-17(23-7-9-24-10-8-23)15-3-5-16(19)6-4-15/h3-6,11,17H,7-10,12H2,1-2H3,(H,20,21,22)
InChIKeyGCTHLQDWPFOKOI-UHFFFAOYSA-N
XLogP2.72
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Gdc-0349
CID 59239165
SB-242235
CID 9863367
4-(Morpholin-4-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815439
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
N~2~-benzyl-N~4~-(3-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 697239
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649
4-[5-(4-Fluoro-phenyl)-3-(3-morpholin-4-yl-propyl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 9800117
4-(4-Methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 25129523
N-(2-(4-Morpholinyl)ethyl)-2-phenyl-4-quinazolinamine
CID 675240
6-Phenyl-2-piperazin-1-yl-pyrimidine-4-carbonitrile
CID 921237
N-(3-fluorophenyl)-6-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 921801
4-(4-Fluorophenyl)-5-(2-morpholinoethyl)-2-pyrimidinamine
CID 3578049

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4,6-dimethylpyrimidin-2-amine (CID 47021426) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(NCC(c2ccc(F)cc2)N2CCOCC2)n1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is GCTHLQDWPFOKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-13-11-14(2)22-18(21-13)20-12-17(23-7-9-24-10-8-23)15-3-5-16(19)6-4-15/h3-6,11,17H,7-10,12H2,1-2H3,(H,20,21,22).
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4,6-dimethylpyrimidin-2-amine?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 330.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 47021426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).