2-amino-6-[5-[2-(2,5-dimethylfuran-3-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one

C20H22FN3O3 — CID 58449181

IUPAC2-amino-6-[5-[2-(2,5-dimethylfuran-3-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCc1cc(C(=O)Cc2ccc(F)c(C3(C)CC(=O)N(C)C(N)=N3)c2)c(C)o1
InChIInChI=1S/C20H22FN3O3/c1-11-7-14(12(2)27-11)17(25)9-13-5-6-16(21)15(8-13)20(3)10-18(26)24(4)19(22)23-20/h5-8H,9-10H2,1-4H3,(H2,22,23)
InChIKeyZWSUEJZIFRGCKF-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.85
Rot. Bonds4

About 2-amino-6-[5-[2-(2,5-dimethylfuran-3-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one

2-amino-6-[5-[2-(2,5-dimethylfuran-3-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 58449181) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 2-amino-6-[5-[2-(2,5-dimethylfuran-3-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[5-[2-(2,5-dimethylfuran-3-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID58449181
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name2-amino-6-[5-[2-(2,5-dimethylfuran-3-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCc1cc(C(=O)Cc2ccc(F)c(C3(C)CC(=O)N(C)C(N)=N3)c2)c(C)o1
InChIInChI=1S/C20H22FN3O3/c1-11-7-14(12(2)27-11)17(25)9-13-5-6-16(21)15(8-13)20(3)10-18(26)24(4)19(22)23-20/h5-8H,9-10H2,1-4H3,(H2,22,23)
InChIKeyZWSUEJZIFRGCKF-UHFFFAOYSA-N
XLogP2.85
TPSA88.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[5-[2-(2,5-dimethylfuran-3-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of 2-amino-6-[5-[2-(2,5-dimethylfuran-3-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 58449181) is 2-amino-6-[5-[2-(2,5-dimethylfuran-3-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[5-[2-(2,5-dimethylfuran-3-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for 2-amino-6-[5-[2-(2,5-dimethylfuran-3-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one is Cc1cc(C(=O)Cc2ccc(F)c(C3(C)CC(=O)N(C)C(N)=N3)c2)c(C)o1.
What is the InChIKey of 2-amino-6-[5-[2-(2,5-dimethylfuran-3-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is ZWSUEJZIFRGCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-11-7-14(12(2)27-11)17(25)9-13-5-6-16(21)15(8-13)20(3)10-18(26)24(4)19(22)23-20/h5-8H,9-10H2,1-4H3,(H2,22,23).
What are the key properties of 2-amino-6-[5-[2-(2,5-dimethylfuran-3-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
2-amino-6-[5-[2-(2,5-dimethylfuran-3-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 371.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[5-[2-(2,5-dimethylfuran-3-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 58449181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).