1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-5,6-dihydro-4H-pyrimidin-2-amine

C21H21FN4O — CID 18693396

IUPAC1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1cc(N2CCCN=C2N)no1
InChIInChI=1S/C21H21FN4O/c1-14(19-13-20(25-27-19)26-11-5-10-24-21(26)23)16-8-9-17(18(22)12-16)15-6-3-2-4-7-15/h2-4,6-9,12-14H,5,10-11H2,1H3,(H2,23,24)
InChIKeyDYMBPXQJWGYYNX-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.16
Rot. Bonds4

About 1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-5,6-dihydro-4H-pyrimidin-2-amine

1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-5,6-dihydro-4H-pyrimidin-2-amine (PubChem CID 18693396) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-5,6-dihydro-4H-pyrimidin-2-amine.

Molecular Properties

Compound Name1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-5,6-dihydro-4H-pyrimidin-2-amine
PubChem CID18693396
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1cc(N2CCCN=C2N)no1
InChIInChI=1S/C21H21FN4O/c1-14(19-13-20(25-27-19)26-11-5-10-24-21(26)23)16-8-9-17(18(22)12-16)15-6-3-2-4-7-15/h2-4,6-9,12-14H,5,10-11H2,1H3,(H2,23,24)
InChIKeyDYMBPXQJWGYYNX-UHFFFAOYSA-N
XLogP4.16
TPSA67.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-5,6-dihydro-4H-pyrimidin-2-amine?
The IUPAC name of 1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-5,6-dihydro-4H-pyrimidin-2-amine (CID 18693396) is 1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-5,6-dihydro-4H-pyrimidin-2-amine.
What is the SMILES notation for 1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-5,6-dihydro-4H-pyrimidin-2-amine?
The canonical SMILES for 1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-5,6-dihydro-4H-pyrimidin-2-amine is CC(c1ccc(-c2ccccc2)c(F)c1)c1cc(N2CCCN=C2N)no1.
What is the InChIKey of 1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-5,6-dihydro-4H-pyrimidin-2-amine?
The InChIKey is DYMBPXQJWGYYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-14(19-13-20(25-27-19)26-11-5-10-24-21(26)23)16-8-9-17(18(22)12-16)15-6-3-2-4-7-15/h2-4,6-9,12-14H,5,10-11H2,1H3,(H2,23,24).
What are the key properties of 1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-5,6-dihydro-4H-pyrimidin-2-amine?
1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-5,6-dihydro-4H-pyrimidin-2-amine has a molecular weight of 364.42 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-5,6-dihydro-4H-pyrimidin-2-amine is sourced from PubChem (CID 18693396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).