2-amino-6-[2-fluoro-5-[2-[5-(1,3-oxazol-2-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one

C21H19FN6O3 — CID 58448451

IUPAC2-amino-6-[2-fluoro-5-[2-[5-(1,3-oxazol-2-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)CC(C)(c2cc(CC(=O)c3cnc(-c4ncco4)cn3)ccc2F)N=C1N
InChIInChI=1S/C21H19FN6O3/c1-21(9-18(30)28(2)20(23)27-21)13-7-12(3-4-14(13)22)8-17(29)15-10-26-16(11-25-15)19-24-5-6-31-19/h3-7,10-11H,8-9H2,1-2H3,(H2,23,27)
InChIKeyWJAJDHWTFKMEMC-UHFFFAOYSA-N
MW422.42 g/mol
LogP2.09
Rot. Bonds5

About 2-amino-6-[2-fluoro-5-[2-[5-(1,3-oxazol-2-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one

2-amino-6-[2-fluoro-5-[2-[5-(1,3-oxazol-2-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 58448451) has the molecular formula C21H19FN6O3 and a molecular weight of 422.42 g/mol. Its IUPAC name is 2-amino-6-[2-fluoro-5-[2-[5-(1,3-oxazol-2-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[2-fluoro-5-[2-[5-(1,3-oxazol-2-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID58448451
Molecular FormulaC21H19FN6O3
Molecular Weight422.42 g/mol
Exact Mass422.15
IUPAC Name2-amino-6-[2-fluoro-5-[2-[5-(1,3-oxazol-2-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)CC(C)(c2cc(CC(=O)c3cnc(-c4ncco4)cn3)ccc2F)N=C1N
InChIInChI=1S/C21H19FN6O3/c1-21(9-18(30)28(2)20(23)27-21)13-7-12(3-4-14(13)22)8-17(29)15-10-26-16(11-25-15)19-24-5-6-31-19/h3-7,10-11H,8-9H2,1-2H3,(H2,23,27)
InChIKeyWJAJDHWTFKMEMC-UHFFFAOYSA-N
XLogP2.09
TPSA127.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-fluoro-5-[2-[5-(1,3-oxazol-2-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of 2-amino-6-[2-fluoro-5-[2-[5-(1,3-oxazol-2-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 58448451) is 2-amino-6-[2-fluoro-5-[2-[5-(1,3-oxazol-2-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[2-fluoro-5-[2-[5-(1,3-oxazol-2-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for 2-amino-6-[2-fluoro-5-[2-[5-(1,3-oxazol-2-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)CC(C)(c2cc(CC(=O)c3cnc(-c4ncco4)cn3)ccc2F)N=C1N.
What is the InChIKey of 2-amino-6-[2-fluoro-5-[2-[5-(1,3-oxazol-2-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is WJAJDHWTFKMEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O3/c1-21(9-18(30)28(2)20(23)27-21)13-7-12(3-4-14(13)22)8-17(29)15-10-26-16(11-25-15)19-24-5-6-31-19/h3-7,10-11H,8-9H2,1-2H3,(H2,23,27).
What are the key properties of 2-amino-6-[2-fluoro-5-[2-[5-(1,3-oxazol-2-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
2-amino-6-[2-fluoro-5-[2-[5-(1,3-oxazol-2-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 422.42 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-fluoro-5-[2-[5-(1,3-oxazol-2-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 58448451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).