6-ethyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-pyridin-2-ylpyrimidin-4-amine

C23H25FN4O — CID 133291402

IUPAC6-ethyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-pyridin-2-ylpyrimidin-4-amine
SMILESCCc1cc(NCC2(c3cccc(F)c3)CCOCC2)nc(-c2ccccn2)n1
InChIInChI=1S/C23H25FN4O/c1-2-19-15-21(28-22(27-19)20-8-3-4-11-25-20)26-16-23(9-12-29-13-10-23)17-6-5-7-18(24)14-17/h3-8,11,14-15H,2,9-10,12-13,16H2,1H3,(H,26,27,28)
InChIKeyULVHAAZJPDWVMF-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.40
Rot. Bonds6

About 6-ethyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-pyridin-2-ylpyrimidin-4-amine

6-ethyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 133291402) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 6-ethyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID133291402
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name6-ethyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-pyridin-2-ylpyrimidin-4-amine
SMILESCCc1cc(NCC2(c3cccc(F)c3)CCOCC2)nc(-c2ccccn2)n1
InChIInChI=1S/C23H25FN4O/c1-2-19-15-21(28-22(27-19)20-8-3-4-11-25-20)26-16-23(9-12-29-13-10-23)17-6-5-7-18(24)14-17/h3-8,11,14-15H,2,9-10,12-13,16H2,1H3,(H,26,27,28)
InChIKeyULVHAAZJPDWVMF-UHFFFAOYSA-N
XLogP4.40
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-6-(2-indazol-1-ylethyl)-2-methylpyrimidin-4-amine
CID 46958532
6-ethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-pyridin-2-ylpyrimidin-4-amine
CID 133459201
6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 62191102
2-[1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]imidazol-2-yl]pyridine
CID 146039195
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]pyridin-2-amine
CID 167761666
N-ethyl-6-[[4-(3-fluorophenyl)oxan-4-yl]methylamino]-N-phenylpyridine-3-sulfonamide
CID 60570272
6-ethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-ylpyrimidin-4-amine
CID 133290389
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propane-1-sulfonamide
CID 86839214
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 99805928
5-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 133487610
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 60570237
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 60570236

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-pyridin-2-ylpyrimidin-4-amine (CID 133291402) is 6-ethyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-pyridin-2-ylpyrimidin-4-amine is CCc1cc(NCC2(c3cccc(F)c3)CCOCC2)nc(-c2ccccn2)n1.
What is the InChIKey of 6-ethyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is ULVHAAZJPDWVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-2-19-15-21(28-22(27-19)20-8-3-4-11-25-20)26-16-23(9-12-29-13-10-23)17-6-5-7-18(24)14-17/h3-8,11,14-15H,2,9-10,12-13,16H2,1H3,(H,26,27,28).
What are the key properties of 6-ethyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-pyridin-2-ylpyrimidin-4-amine?
6-ethyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 392.48 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 133291402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).