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

C20H19FN8O2 — CID 58449112

IUPAC2-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
SMILESCN1C(=O)CC(C)(c2cc(CC(=O)c3cnc(-n4cncn4)cn3)ccc2F)N=C1N
InChIInChI=1S/C20H19FN8O2/c1-20(7-18(31)28(2)19(22)27-20)13-5-12(3-4-14(13)21)6-16(30)15-8-25-17(9-24-15)29-11-23-10-26-29/h3-5,8-11H,6-7H2,1-2H3,(H2,22,27)
InChIKeyAAQJIYCGFQWTNM-UHFFFAOYSA-N
MW422.42 g/mol
LogP1.01
Rot. Bonds5

About 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

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 (PubChem CID 58449112) has the molecular formula C20H19FN8O2 and a molecular weight of 422.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID58449112
Molecular FormulaC20H19FN8O2
Molecular Weight422.42 g/mol
Exact Mass422.16
IUPAC Name2-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
SMILESCN1C(=O)CC(C)(c2cc(CC(=O)c3cnc(-n4cncn4)cn3)ccc2F)N=C1N
InChIInChI=1S/C20H19FN8O2/c1-20(7-18(31)28(2)19(22)27-20)13-5-12(3-4-14(13)21)6-16(30)15-8-25-17(9-24-15)29-11-23-10-26-29/h3-5,8-11H,6-7H2,1-2H3,(H2,22,27)
InChIKeyAAQJIYCGFQWTNM-UHFFFAOYSA-N
XLogP1.01
TPSA132.25 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.42
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
(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-[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-[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-[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-[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-[5-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58449211
2-amino-6-[5-[2-(3-amino-5-ethoxypyrazin-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58448951
(6S)-2-amino-6-[2-fluoro-5-(4-methylphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 67966792
(6S)-2-amino-6-(2,5-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 59388920
2-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-1-[5-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]ethanone
CID 148697918

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1C(=O)CC(C)(c2cc(CC(=O)c3cnc(-n4cncn4)cn3)ccc2F)N=C1N.
What is the InChIKey of 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?
The InChIKey is AAQJIYCGFQWTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN8O2/c1-20(7-18(31)28(2)19(22)27-20)13-5-12(3-4-14(13)21)6-16(30)15-8-25-17(9-24-15)29-11-23-10-26-29/h3-5,8-11H,6-7H2,1-2H3,(H2,22,27).
What are the key properties of 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?
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 has a molecular weight of 422.42 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58449112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).