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

C20H23FN6O3 — CID 58448951

IUPAC2-amino-6-[5-[2-(3-amino-5-ethoxypyrazin-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCCOc1cnc(C(=O)Cc2ccc(F)c(C3(C)CC(=O)N(C)C(N)=N3)c2)c(N)n1
InChIInChI=1S/C20H23FN6O3/c1-4-30-15-10-24-17(18(22)25-15)14(28)8-11-5-6-13(21)12(7-11)20(2)9-16(29)27(3)19(23)26-20/h5-7,10H,4,8-9H2,1-3H3,(H2,22,25)(H2,23,26)
InChIKeyVTLFGVHOWUCBIK-UHFFFAOYSA-N
MW414.44 g/mol
LogP1.41
Rot. Bonds6

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

2-amino-6-[5-[2-(3-amino-5-ethoxypyrazin-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 58448951) has the molecular formula C20H23FN6O3 and a molecular weight of 414.44 g/mol. Its IUPAC name is 2-amino-6-[5-[2-(3-amino-5-ethoxypyrazin-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[5-[2-(3-amino-5-ethoxypyrazin-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID58448951
Molecular FormulaC20H23FN6O3
Molecular Weight414.44 g/mol
Exact Mass414.18
IUPAC Name2-amino-6-[5-[2-(3-amino-5-ethoxypyrazin-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCCOc1cnc(C(=O)Cc2ccc(F)c(C3(C)CC(=O)N(C)C(N)=N3)c2)c(N)n1
InChIInChI=1S/C20H23FN6O3/c1-4-30-15-10-24-17(18(22)25-15)14(28)8-11-5-6-13(21)12(7-11)20(2)9-16(29)27(3)19(23)26-20/h5-7,10H,4,8-9H2,1-3H3,(H2,22,25)(H2,23,26)
InChIKeyVTLFGVHOWUCBIK-UHFFFAOYSA-N
XLogP1.41
TPSA136.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-amino-6-[5-[2-(3-amino-5-ethoxypyrazin-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one with MolForge

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Related Compounds

2-amino-6-[2-fluoro-5-[2-[5-(2-methoxyethoxy)pyrazin-2-yl]-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58449345
2-amino-6-[2-fluoro-5-[2-oxo-2-(5-pent-2-ynoxypyrazin-2-yl)ethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58448672
2-amino-6-[2-fluoro-5-[2-[5-(2-methylsulfanylethoxy)pyrazin-2-yl]-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58449034
2-amino-6-[5-[2-(5-but-3-ynoxypyrazin-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58448454
2-amino-6-[5-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58449211
(6S)-2-amino-6-[2-fluoro-5-[2-oxo-2-(5-prop-1-ynyl-2-pyridinyl)ethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 161162545
2-amino-6-[5-[2-(2-chloro-1,3-oxazol-4-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58448709
2-amino-6-[2-fluoro-5-[2-oxo-2-[5-(triazol-1-yl)pyrazin-2-yl]ethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58449195
2-amino-6-[2-fluoro-5-[2-oxo-2-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]ethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58449112
(6S)-2-amino-6-(2,5-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 59388920
(6S)-2-amino-6-[2-fluoro-5-(4-methylphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 67966792
2-amino-6-[3-[2-(3,5-dimethyl-2-pyridinyl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58449206

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[5-[2-(3-amino-5-ethoxypyrazin-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of 2-amino-6-[5-[2-(3-amino-5-ethoxypyrazin-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 58448951) is 2-amino-6-[5-[2-(3-amino-5-ethoxypyrazin-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[5-[2-(3-amino-5-ethoxypyrazin-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for 2-amino-6-[5-[2-(3-amino-5-ethoxypyrazin-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one is CCOc1cnc(C(=O)Cc2ccc(F)c(C3(C)CC(=O)N(C)C(N)=N3)c2)c(N)n1.
What is the InChIKey of 2-amino-6-[5-[2-(3-amino-5-ethoxypyrazin-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is VTLFGVHOWUCBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O3/c1-4-30-15-10-24-17(18(22)25-15)14(28)8-11-5-6-13(21)12(7-11)20(2)9-16(29)27(3)19(23)26-20/h5-7,10H,4,8-9H2,1-3H3,(H2,22,25)(H2,23,26).
What are the key properties of 2-amino-6-[5-[2-(3-amino-5-ethoxypyrazin-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
2-amino-6-[5-[2-(3-amino-5-ethoxypyrazin-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 414.44 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[5-[2-(3-amino-5-ethoxypyrazin-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 58448951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).