2-amino-6-[2-[3-(furan-2-yl)phenyl]ethyl]-3-(3-methylbutyl)pyrimidin-4-one

C21H25N3O2 — CID 68927213

IUPAC2-amino-6-[2-[3-(furan-2-yl)phenyl]ethyl]-3-(3-methylbutyl)pyrimidin-4-one
SMILESCC(C)CCn1c(N)nc(CCc2cccc(-c3ccco3)c2)cc1=O
InChIInChI=1S/C21H25N3O2/c1-15(2)10-11-24-20(25)14-18(23-21(24)22)9-8-16-5-3-6-17(13-16)19-7-4-12-26-19/h3-7,12-15H,8-11H2,1-2H3,(H2,22,23)
InChIKeyBGEAHOUCRMEADW-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.92
Rot. Bonds7

About 2-amino-6-[2-[3-(furan-2-yl)phenyl]ethyl]-3-(3-methylbutyl)pyrimidin-4-one

2-amino-6-[2-[3-(furan-2-yl)phenyl]ethyl]-3-(3-methylbutyl)pyrimidin-4-one (PubChem CID 68927213) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-amino-6-[2-[3-(furan-2-yl)phenyl]ethyl]-3-(3-methylbutyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[2-[3-(furan-2-yl)phenyl]ethyl]-3-(3-methylbutyl)pyrimidin-4-one
PubChem CID68927213
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-amino-6-[2-[3-(furan-2-yl)phenyl]ethyl]-3-(3-methylbutyl)pyrimidin-4-one
SMILESCC(C)CCn1c(N)nc(CCc2cccc(-c3ccco3)c2)cc1=O
InChIInChI=1S/C21H25N3O2/c1-15(2)10-11-24-20(25)14-18(23-21(24)22)9-8-16-5-3-6-17(13-16)19-7-4-12-26-19/h3-7,12-15H,8-11H2,1-2H3,(H2,22,23)
InChIKeyBGEAHOUCRMEADW-UHFFFAOYSA-N
XLogP3.92
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-[3-(furan-2-yl)phenyl]ethyl]-3-(3-methylbutyl)pyrimidin-4-one?
The IUPAC name of 2-amino-6-[2-[3-(furan-2-yl)phenyl]ethyl]-3-(3-methylbutyl)pyrimidin-4-one (CID 68927213) is 2-amino-6-[2-[3-(furan-2-yl)phenyl]ethyl]-3-(3-methylbutyl)pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[2-[3-(furan-2-yl)phenyl]ethyl]-3-(3-methylbutyl)pyrimidin-4-one?
The canonical SMILES for 2-amino-6-[2-[3-(furan-2-yl)phenyl]ethyl]-3-(3-methylbutyl)pyrimidin-4-one is CC(C)CCn1c(N)nc(CCc2cccc(-c3ccco3)c2)cc1=O.
What is the InChIKey of 2-amino-6-[2-[3-(furan-2-yl)phenyl]ethyl]-3-(3-methylbutyl)pyrimidin-4-one?
The InChIKey is BGEAHOUCRMEADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15(2)10-11-24-20(25)14-18(23-21(24)22)9-8-16-5-3-6-17(13-16)19-7-4-12-26-19/h3-7,12-15H,8-11H2,1-2H3,(H2,22,23).
What are the key properties of 2-amino-6-[2-[3-(furan-2-yl)phenyl]ethyl]-3-(3-methylbutyl)pyrimidin-4-one?
2-amino-6-[2-[3-(furan-2-yl)phenyl]ethyl]-3-(3-methylbutyl)pyrimidin-4-one has a molecular weight of 351.45 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-[3-(furan-2-yl)phenyl]ethyl]-3-(3-methylbutyl)pyrimidin-4-one is sourced from PubChem (CID 68927213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).